3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[4-(1H-1,2,4-triazol-3-yl)phenyl]propanamide
Chemical Structure Depiction of
3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[4-(1H-1,2,4-triazol-3-yl)phenyl]propanamide
3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[4-(1H-1,2,4-triazol-3-yl)phenyl]propanamide
Compound characteristics
| Compound ID: | Y043-5510 |
| Compound Name: | 3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[4-(1H-1,2,4-triazol-3-yl)phenyl]propanamide |
| Molecular Weight: | 390.4 |
| Molecular Formula: | C20 H18 N6 O3 |
| Smiles: | C(CC(Nc1ccc(cc1)c1nc[nH]n1)=O)C1C(Nc2ccccc2C(N1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6356 |
| logD: | 1.625 |
| logSw: | -2.4655 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 109.532 |
| InChI Key: | RHQQBCOEKGCGFP-INIZCTEOSA-N |