N-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-4-phenylbutanamide
Chemical Structure Depiction of
N-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-4-phenylbutanamide
N-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-4-phenylbutanamide
Compound characteristics
| Compound ID: | Y042-6462 |
| Compound Name: | N-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-4-phenylbutanamide |
| Molecular Weight: | 377.44 |
| Molecular Formula: | C22 H23 N3 O3 |
| Smiles: | C(CC(Nc1ccc2c(c1)C(N1CCC[C@H]1C(N2)=O)=O)=O)Cc1ccccc1 |
| Stereo: | ABSOLUTE |
| logP: | 2.8511 |
| logD: | 2.7715 |
| logSw: | -3.5836 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.926 |
| InChI Key: | KKOABFIVVJFXSA-IBGZPJMESA-N |