N-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-2-(4-fluorophenyl)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-(4-fluorophenyl)acetamide
N-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-2-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | Y042-6648 |
| 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-(4-fluorophenyl)acetamide |
| Molecular Weight: | 367.38 |
| Molecular Formula: | C20 H18 F N3 O3 |
| Smiles: | C1C[C@H]2C(Nc3ccc(cc3C(N2C1)=O)NC(Cc1ccc(cc1)F)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.9246 |
| logD: | 1.845 |
| logSw: | -2.7775 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.926 |
| InChI Key: | RKCAGIGPWNXESG-QGZVFWFLSA-N |