3-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-1-{2-[3-(trifluoromethyl)phenyl]-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl}propan-1-one
Chemical Structure Depiction of
3-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-1-{2-[3-(trifluoromethyl)phenyl]-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl}propan-1-one
3-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-1-{2-[3-(trifluoromethyl)phenyl]-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl}propan-1-one
Compound characteristics
| Compound ID: | P218-3568 |
| Compound Name: | 3-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-1-{2-[3-(trifluoromethyl)phenyl]-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl}propan-1-one |
| Molecular Weight: | 560.59 |
| Molecular Formula: | C27 H27 F3 N4 O4 S |
| Smiles: | CC(N1CCc2cc(ccc12)S(CCC(N1CCCn2c(C1)cc(c1cccc(c1)C(F)(F)F)n2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7455 |
| logD: | 2.7455 |
| logSw: | -3.4315 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.344 |
| InChI Key: | XNXQNYVGQVVBTI-UHFFFAOYSA-N |