N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1,2,3-benzothiadiazole-5-carboxamide
Chemical Structure Depiction of
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1,2,3-benzothiadiazole-5-carboxamide
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1,2,3-benzothiadiazole-5-carboxamide
Compound characteristics
Compound ID: | D003-1028 |
Compound Name: | N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1,2,3-benzothiadiazole-5-carboxamide |
Molecular Weight: | 329.44 |
Molecular Formula: | C16 H15 N3 O S2 |
Smiles: | CSc1ccc(CCNC(c2ccc3c(c2)nns3)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 3.2449 |
logD: | 3.2449 |
logSw: | -3.5963 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 46.075 |
InChI Key: | YEKWEWVOBHWFEQ-UHFFFAOYSA-N |