2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]-N-(2,3,4-trifluorophenyl)acetamide
Chemical Structure Depiction of
2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]-N-(2,3,4-trifluorophenyl)acetamide
2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]-N-(2,3,4-trifluorophenyl)acetamide
Compound characteristics
| Compound ID: | Y043-2879 |
| Compound Name: | 2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]-N-(2,3,4-trifluorophenyl)acetamide |
| Molecular Weight: | 403.36 |
| Molecular Formula: | C20 H16 F3 N3 O3 |
| Smiles: | C1C[C@H]2C(N(CC(Nc3ccc(c(c3F)F)F)=O)c3ccccc3C(N2C1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.8785 |
| logD: | 1.3621 |
| logSw: | -2.9257 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.724 |
| InChI Key: | GEFOHCFSOXTSMT-HNNXBMFYSA-N |