N-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-4-(1H-pyrazol-1-yl)butanamide
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-(1H-pyrazol-1-yl)butanamide
N-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-4-(1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | Y042-6467 |
| 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-(1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 367.41 |
| Molecular Formula: | C19 H21 N5 O3 |
| Smiles: | C1C[C@H]2C(Nc3ccc(cc3C(N2C1)=O)NC(CCCn1cccn1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.0362 |
| logD: | -0.0434 |
| logSw: | -2.0702 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.699 |
| InChI Key: | LGRIGGVDEPJBHK-INIZCTEOSA-N |