N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(morpholin-4-yl)-1,3-benzothiazole-6-carboxamide
Chemical Structure Depiction of
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(morpholin-4-yl)-1,3-benzothiazole-6-carboxamide
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(morpholin-4-yl)-1,3-benzothiazole-6-carboxamide
Compound characteristics
Compound ID: | C858-1691 |
Compound Name: | N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(morpholin-4-yl)-1,3-benzothiazole-6-carboxamide |
Molecular Weight: | 413.56 |
Molecular Formula: | C21 H23 N3 O2 S2 |
Smiles: | CSc1ccc(CCNC(c2ccc3c(c2)sc(n3)N2CCOCC2)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 3.9391 |
logD: | 3.9391 |
logSw: | -4.0576 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 45.39 |
InChI Key: | BQFPUVZGBIJJOB-UHFFFAOYSA-N |