TL;DR: (Z)-3-butoxy-N-(3-(prop-2-yn-1-yl)-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)benzamide (CAS 865182-32-7) is a chemical compound with molecular formula C21H21N3O4S2 and molecular weight 443.09735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-butoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide
Also Known As: (Z)-3-butoxy-N-(3-(prop-2-yn-1-yl)-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)benzamide, 3-butoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide, F1365-2978, 3-butoxy-N-[(2Z)-3-(prop-2-yn-1-yl)-6-sulfamoyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide, 3-butoxy-N-(3-prop-2-ynyl-6-sulfamoyl-benzothiazol-2-ylidene)benzamide
| Molecular Formula | C21H21N3O4S2 |
| Molecular Weight | 443.09735 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.09735 Da |
| Heavy Atoms | 30 |
| Complexity | 799.0 |
| SMILES | CCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC#C |
| InChIKey | BENYJVRRQSLQEY-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that (Z)-3-butoxy-N-(3-(prop-2-yn-1-yl)-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-butoxy-N-(3-(prop-2-yn-1-yl)-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)benzamide. Following Lipinski's Rule of Five, (Z)-3-butoxy-N-(3-(prop-2-yn-1-yl)-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)benzamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (Z)-3-butoxy-N-(3-(prop-2-yn-1-yl)-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)benzamide is 865182-32-7.
The molecular formula of (Z)-3-butoxy-N-(3-(prop-2-yn-1-yl)-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)benzamide is C21H21N3O4S2.
The molecular weight of (Z)-3-butoxy-N-(3-(prop-2-yn-1-yl)-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)benzamide is 443.09735 g/mol.
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