3-(3,5-dimethyl-1H-pyrazol-4-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-(3,5-dimethyl-1H-pyrazol-4-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-(3,5-dimethyl-1H-pyrazol-4-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: | J109-0954 |
| Compound Name: | 3-(3,5-dimethyl-1H-pyrazol-4-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: | 381.43 |
| Molecular Formula: | C20 H23 N5 O3 |
| Smiles: | Cc1c(CCC(Nc2ccc3c(c2)C(N2CCC[C@H]2C(N3)=O)=O)=O)c(C)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | 1.2458 |
| logD: | 1.1657 |
| logSw: | -2.2275 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.841 |
| InChI Key: | FASDSXLRDMTLBF-KRWDZBQOSA-N |