N-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-2-[1-(propan-2-yl)-1H-indol-3-yl]acetamide
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]-2-[1-(propan-2-yl)-1H-indol-3-yl]acetamide
N-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-2-[1-(propan-2-yl)-1H-indol-3-yl]acetamide
Compound characteristics
| Compound ID: | Y042-6650 |
| Compound Name: | N-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-2-[1-(propan-2-yl)-1H-indol-3-yl]acetamide |
| Molecular Weight: | 430.51 |
| Molecular Formula: | C25 H26 N4 O3 |
| Smiles: | CC(C)n1cc(CC(Nc2ccc3c(c2)C(N2CCC[C@H]2C(N3)=O)=O)=O)c2ccccc12 |
| Stereo: | ABSOLUTE |
| logP: | 3.121 |
| logD: | 3.0414 |
| logSw: | -3.2632 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.721 |
| InChI Key: | VNQNPIJVFADVOQ-QFIPXVFZSA-N |