2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-{5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl}acetamide
Chemical Structure Depiction of
2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-{5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl}acetamide
2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-{5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl}acetamide
Compound characteristics
| Compound ID: | Y044-4423 |
| Compound Name: | 2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-{5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl}acetamide |
| Molecular Weight: | 420.43 |
| Molecular Formula: | C21 H20 N6 O4 |
| Smiles: | COc1ccc(Cc2nc(NC(CC3C(Nc4ccccc4C(N3)=O)=O)=O)n[nH]2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0212 |
| logD: | 2.0063 |
| logSw: | -2.8275 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 117.553 |
| InChI Key: | YJRLWUVEIWRJTG-INIZCTEOSA-N |