3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-{2-[1-(propan-2-yl)-1H-benzimidazol-2-yl]ethyl}propanamide
Chemical Structure Depiction of
3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-{2-[1-(propan-2-yl)-1H-benzimidazol-2-yl]ethyl}propanamide
3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-{2-[1-(propan-2-yl)-1H-benzimidazol-2-yl]ethyl}propanamide
Compound characteristics
| Compound ID: | J101-0297 |
| Compound Name: | 3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-{2-[1-(propan-2-yl)-1H-benzimidazol-2-yl]ethyl}propanamide |
| Molecular Weight: | 433.51 |
| Molecular Formula: | C24 H27 N5 O3 |
| Smiles: | CC(C)n1c2ccccc2nc1CCNC(CC[C@@H]1C(Nc2ccccc2C(N1)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.5177 |
| logD: | 2.5062 |
| logSw: | -3.0288 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.515 |
| InChI Key: | XYNXZSSCFLWDHI-LJQANCHMSA-N |