2-(2-methylpropyl)-7-[2-(trifluoromethyl)benzene-1-sulfonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
2-(2-methylpropyl)-7-[2-(trifluoromethyl)benzene-1-sulfonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-(2-methylpropyl)-7-[2-(trifluoromethyl)benzene-1-sulfonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | CM4193-3504 |
| Compound Name: | 2-(2-methylpropyl)-7-[2-(trifluoromethyl)benzene-1-sulfonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 418.44 |
| Molecular Formula: | C17 H21 F3 N4 O3 S |
| Smiles: | CC(C)CN1C(N2CCN(CCC2=N1)S(c1ccccc1C(F)(F)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3605 |
| logD: | 3.3603 |
| logSw: | -3.783 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.306 |
| InChI Key: | OECPAJUFTMDLLR-UHFFFAOYSA-N |