TL;DR: N-[4-(dimethylamino)phenyl]-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide (CAS 900869-54-7) is a chemical compound with molecular formula C19H21N5O2 and molecular weight 351.16953 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-(dimethylamino)phenyl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
Also Known As: N-(4-dimethylaminophenyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide, N-(4-(dimethylamino)phenyl)-4-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)butanamide, N-[4-(dimethylamino)phenyl]-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
| Molecular Formula | C19H21N5O2 |
| Molecular Weight | 351.16953 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 77.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.16953 Da |
| Heavy Atoms | 26 |
| Complexity | 528.0 |
| SMILES | CN(C)C1=CC=C(C=C1)NC(=O)CCCN2C(=O)C3=CC=CC=C3N=N2 |
| InChIKey | LNRAVMGTTRKTJG-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[4-(dimethylamino)phenyl]-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(dimethylamino)phenyl]-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide. Following Lipinski's Rule of Five, N-[4-(dimethylamino)phenyl]-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[4-(dimethylamino)phenyl]-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide is 900869-54-7.
The molecular formula of N-[4-(dimethylamino)phenyl]-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide is C19H21N5O2.
The molecular weight of N-[4-(dimethylamino)phenyl]-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide is 351.16953 g/mol.
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