3-(6-chloro-1H-indol-1-yl)-N-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]propanamide
Chemical Structure Depiction of
3-(6-chloro-1H-indol-1-yl)-N-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]propanamide
3-(6-chloro-1H-indol-1-yl)-N-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]propanamide
Compound characteristics
| Compound ID: | J109-0316 |
| Compound Name: | 3-(6-chloro-1H-indol-1-yl)-N-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]propanamide |
| Molecular Weight: | 436.9 |
| Molecular Formula: | C23 H21 Cl N4 O3 |
| Smiles: | C1C[C@H]2C(Nc3ccc(cc3C(N2C1)=O)NC(CCn1ccc2ccc(cc12)[Cl])=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.3954 |
| logD: | 3.3158 |
| logSw: | -3.9388 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.015 |
| InChI Key: | KQGMSZKYPIKAKJ-LJQANCHMSA-N |