2-methyl-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-methyl-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-methyl-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: | S636-1022 |
| Compound Name: | 2-methyl-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: | 376.35 |
| Molecular Formula: | C14 H15 F3 N4 O3 S |
| Smiles: | CN1C(N2CCN(CCC2=N1)S(c1ccccc1C(F)(F)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0438 |
| logD: | 2.0438 |
| logSw: | -2.5184 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.985 |
| InChI Key: | JSYUKXWMBCUSJD-UHFFFAOYSA-N |