N-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-3-(4-methoxy-1H-indol-1-yl)propanamide
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]-3-(4-methoxy-1H-indol-1-yl)propanamide
N-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-3-(4-methoxy-1H-indol-1-yl)propanamide
Compound characteristics
| Compound ID: | J109-0320 |
| Compound Name: | N-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-3-(4-methoxy-1H-indol-1-yl)propanamide |
| Molecular Weight: | 432.48 |
| Molecular Formula: | C24 H24 N4 O4 |
| Smiles: | COc1cccc2c1ccn2CCC(Nc1ccc2c(c1)C(N1CCC[C@H]1C(N2)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.4829 |
| logD: | 2.4033 |
| logSw: | -3.0716 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.645 |
| InChI Key: | KBLILLDKTZXCRK-FQEVSTJZSA-N |