N-[2-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide
Chemical Structure Depiction of
N-[2-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide
N-[2-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide
Compound characteristics
Compound ID: | G795-0599 |
Compound Name: | N-[2-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide |
Molecular Weight: | 433.55 |
Molecular Formula: | C23 H19 N3 O2 S2 |
Smiles: | CSc1ccc(CNC(c2ccccc2NC(c2c3ccccc3sn2)=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 5.165 |
logD: | 5.1649 |
logSw: | -5.1423 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 58.035 |
InChI Key: | DOFJOQBCJRTGSR-UHFFFAOYSA-N |