TL;DR: (2S)-N-(4-methoxyphenyl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide (CAS 1173680-83-5) is a chemical compound with molecular formula C17H16N4O3 and molecular weight 324.12225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-N-(4-methoxyphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
Also Known As: (2S)-N-(4-methoxyphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide, (2S)-N-(4-methoxyphenyl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide, (S)-N-(4-methoxyphenyl)-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamide
| Molecular Formula | C17H16N4O3 |
| Molecular Weight | 324.12225 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 83.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.12225 Da |
| Heavy Atoms | 24 |
| Complexity | 502.0 |
| SMILES | C[C@@H](C(=O)NC1=CC=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=N2 |
| InChIKey | UVOGHVMEYAOEGY-NSHDSACASA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-N-(4-methoxyphenyl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide. The TPSA of 83.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-N-(4-methoxyphenyl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide. Following Lipinski's Rule of Five, (2S)-N-(4-methoxyphenyl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide 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 (2S)-N-(4-methoxyphenyl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide is 1173680-83-5.
The molecular formula of (2S)-N-(4-methoxyphenyl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide is C17H16N4O3.
The molecular weight of (2S)-N-(4-methoxyphenyl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide is 324.12225 g/mol.
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