7-(benzenesulfonyl)-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-(benzenesulfonyl)-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(benzenesulfonyl)-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: | S636-0995 |
| Compound Name: | 7-(benzenesulfonyl)-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 308.36 |
| Molecular Formula: | C13 H16 N4 O3 S |
| Smiles: | CN1C(N2CCN(CCC2=N1)S(c1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0717 |
| logD: | 1.0716 |
| logSw: | -2.0301 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.985 |
| InChI Key: | GFAJMTZUWCFOFO-UHFFFAOYSA-N |