N,3-dimethyl-2-oxo-N-(2-oxo-2-{2-[3-(trifluoromethyl)phenyl]-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl}ethyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Chemical Structure Depiction of
N,3-dimethyl-2-oxo-N-(2-oxo-2-{2-[3-(trifluoromethyl)phenyl]-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl}ethyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
N,3-dimethyl-2-oxo-N-(2-oxo-2-{2-[3-(trifluoromethyl)phenyl]-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl}ethyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Compound characteristics
| Compound ID: | P218-3577 |
| Compound Name: | N,3-dimethyl-2-oxo-N-(2-oxo-2-{2-[3-(trifluoromethyl)phenyl]-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl}ethyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide |
| Molecular Weight: | 563.55 |
| Molecular Formula: | C25 H24 F3 N5 O5 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(N(C)CC(N1CCCn2c(C1)cc(c1cccc(c1)C(F)(F)F)n2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8309 |
| logD: | 2.8309 |
| logSw: | -3.6141 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.591 |
| InChI Key: | FBHXPZTXAHWBED-UHFFFAOYSA-N |