7-[3-(benzenesulfonyl)propanoyl]-2-propyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Chemical Structure Depiction of
7-[3-(benzenesulfonyl)propanoyl]-2-propyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
7-[3-(benzenesulfonyl)propanoyl]-2-propyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Compound characteristics
| Compound ID: | S854-0437 |
| Compound Name: | 7-[3-(benzenesulfonyl)propanoyl]-2-propyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one |
| Molecular Weight: | 378.45 |
| Molecular Formula: | C17 H22 N4 O4 S |
| Smiles: | CCCN1C(N2CCN(CC2=N1)C(CCS(c1ccccc1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9078 |
| logD: | 0.9075 |
| logSw: | -2.0415 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.333 |
| InChI Key: | OLBQDIAHZHRGMH-UHFFFAOYSA-N |