7-(4-methoxybenzene-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-methoxybenzene-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-methoxybenzene-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: | S636-1031 |
| Compound Name: | 7-(4-methoxybenzene-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: | 338.38 |
| Molecular Formula: | C14 H18 N4 O4 S |
| Smiles: | CN1C(N2CCN(CCC2=N1)S(c1ccc(cc1)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2391 |
| logD: | 1.239 |
| logSw: | -2.1957 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.529 |
| InChI Key: | RPSDJSYXQUAMJR-UHFFFAOYSA-N |