2-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}acetamide
Chemical Structure Depiction of
2-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}acetamide
2-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}acetamide
Compound characteristics
| Compound ID: | J100-0003 |
| Compound Name: | 2-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}acetamide |
| Molecular Weight: | 390.4 |
| Molecular Formula: | C20 H18 N6 O3 |
| Smiles: | C(C(Nc1ccc(Cn2cncn2)cc1)=O)[C@H]1C(Nc2ccccc2C(N1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.6872 |
| logD: | 0.6748 |
| logSw: | -2.1377 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.077 |
| InChI Key: | QFACGIYFOUIZMH-KRWDZBQOSA-N |