2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]-N-[4-(trifluoromethoxy)phenyl]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-[4-(trifluoromethoxy)phenyl]acetamide
2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
Compound characteristics
| Compound ID: | Y043-2880 |
| Compound Name: | 2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide |
| Molecular Weight: | 433.39 |
| Molecular Formula: | C21 H18 F3 N3 O4 |
| Smiles: | C1C[C@H]2C(N(CC(Nc3ccc(cc3)OC(F)(F)F)=O)c3ccccc3C(N2C1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.7379 |
| logD: | 2.7379 |
| logSw: | -3.6825 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.359 |
| InChI Key: | WXRLSNNOPFNBGR-KRWDZBQOSA-N |