7-(4-chloro-2-methylbenzene-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-(4-chloro-2-methylbenzene-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-(4-chloro-2-methylbenzene-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: | CM4193-3502 |
| Compound Name: | 7-(4-chloro-2-methylbenzene-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: | 398.91 |
| Molecular Formula: | C17 H23 Cl N4 O3 S |
| Smiles: | CC(C)CN1C(N2CCN(CCC2=N1)S(c1ccc(cc1C)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7943 |
| logD: | 3.794 |
| logSw: | -4.28 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.306 |
| InChI Key: | FXTWWXPWRUMCNU-UHFFFAOYSA-N |