7-[3-(1,3-benzothiazol-2-yl)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-(1,3-benzothiazol-2-yl)propanoyl]-2-propyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
7-[3-(1,3-benzothiazol-2-yl)propanoyl]-2-propyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Compound characteristics
| Compound ID: | S854-0537 |
| Compound Name: | 7-[3-(1,3-benzothiazol-2-yl)propanoyl]-2-propyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one |
| Molecular Weight: | 371.46 |
| Molecular Formula: | C18 H21 N5 O2 S |
| Smiles: | CCCN1C(N2CCN(CC2=N1)C(CCc1nc2ccccc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6459 |
| logD: | 2.6456 |
| logSw: | -2.7453 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.513 |
| InChI Key: | MBMWEHDPGHMVBK-UHFFFAOYSA-N |