N-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-4-(5-methyl-1H-tetrazol-1-yl)benzamide
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-(5-methyl-1H-tetrazol-1-yl)benzamide
N-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-4-(5-methyl-1H-tetrazol-1-yl)benzamide
Compound characteristics
| Compound ID: | J109-0269 |
| 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-(5-methyl-1H-tetrazol-1-yl)benzamide |
| Molecular Weight: | 417.43 |
| Molecular Formula: | C21 H19 N7 O3 |
| Smiles: | Cc1nnnn1c1ccc(cc1)C(Nc1ccc2c(c1)C(N1CCC[C@H]1C(N2)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.9978 |
| logD: | 0.9182 |
| logSw: | -2.3198 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.256 |
| InChI Key: | CBDIKRVVJPXDPN-SFHVURJKSA-N |