7-(2,5-difluorobenzene-1-sulfonyl)-2-(2-methylpropyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
7-(2,5-difluorobenzene-1-sulfonyl)-2-(2-methylpropyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(2,5-difluorobenzene-1-sulfonyl)-2-(2-methylpropyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | CM4193-3901 |
| Compound Name: | 7-(2,5-difluorobenzene-1-sulfonyl)-2-(2-methylpropyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 386.42 |
| Molecular Formula: | C16 H20 F2 N4 O3 S |
| Smiles: | CC(C)CN1C(N2CCN(CCC2=N1)S(c1cc(ccc1F)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.655 |
| logD: | 2.6547 |
| logSw: | -2.9388 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.306 |
| InChI Key: | HFVAPVAKSCHGGK-UHFFFAOYSA-N |