N-[2-(1H-benzimidazol-2-yl)ethyl]-3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanamide
Chemical Structure Depiction of
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanamide
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanamide
Compound characteristics
| Compound ID: | J101-0318 |
| Compound Name: | N-[2-(1H-benzimidazol-2-yl)ethyl]-3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanamide |
| Molecular Weight: | 391.43 |
| Molecular Formula: | C21 H21 N5 O3 |
| Smiles: | C(C[C@@H]1C(Nc2ccccc2C(N1)=O)=O)C(NCCc1nc2ccccc2[nH]1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.7298 |
| logD: | 1.7059 |
| logSw: | -2.5648 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 95.545 |
| InChI Key: | ILUQKJBSCDLEJX-QGZVFWFLSA-N |