3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-{4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]phenyl}propanamide
Chemical Structure Depiction of
3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-{4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]phenyl}propanamide
3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-{4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]phenyl}propanamide
Compound characteristics
| Compound ID: | Y041-9054 |
| Compound Name: | 3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-{4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]phenyl}propanamide |
| Molecular Weight: | 432.48 |
| Molecular Formula: | C23 H24 N6 O3 |
| Smiles: | CC(C)c1nc(c2ccc(cc2)NC(CCC2C(Nc3ccccc3C(N2)=O)=O)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.192 |
| logD: | 3.1815 |
| logSw: | -3.7515 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 107.885 |
| InChI Key: | ZJEOKIKYHKEHFH-SFHVURJKSA-N |