N-(5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl)-3-phenyl-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-(5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl)-3-phenyl-1H-pyrazole-5-carboxamide
N-(5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl)-3-phenyl-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y043-4135 |
| Compound Name: | N-(5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl)-3-phenyl-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 401.42 |
| Molecular Formula: | C22 H19 N5 O3 |
| Smiles: | C1CC2C(Nc3ccc(cc3C(N2C1)=O)NC(c1cc(c2ccccc2)n[nH]1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6974 |
| logD: | 2.6178 |
| logSw: | -3.5142 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.629 |
| InChI Key: | CJCKHGATFDSVOG-IBGZPJMESA-N |