4-(1,2-benzothiazole-3-carbonyl)-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide
Chemical Structure Depiction of
4-(1,2-benzothiazole-3-carbonyl)-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide
4-(1,2-benzothiazole-3-carbonyl)-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | G795-0778 |
| Compound Name: | 4-(1,2-benzothiazole-3-carbonyl)-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide |
| Molecular Weight: | 412.53 |
| Molecular Formula: | C20 H20 N4 O2 S2 |
| Smiles: | CSc1cccc(c1)NC(N1CCN(CC1)C(c1c2ccccc2sn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4862 |
| logD: | 3.4862 |
| logSw: | -3.899 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.154 |
| InChI Key: | QJLXFWPLMURPAO-UHFFFAOYSA-N |