7-(4-chloro-3-methylbenzene-1-sulfonyl)-2-methyl-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-3-methylbenzene-1-sulfonyl)-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(4-chloro-3-methylbenzene-1-sulfonyl)-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-1021 |
| Compound Name: | 7-(4-chloro-3-methylbenzene-1-sulfonyl)-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 356.83 |
| Molecular Formula: | C14 H17 Cl N4 O3 S |
| Smiles: | Cc1cc(ccc1[Cl])S(N1CCC2=NN(C)C(N2CC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5246 |
| logD: | 2.5246 |
| logSw: | -3.1324 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.985 |
| InChI Key: | ZMWPQASCZMUGAS-UHFFFAOYSA-N |