N-[2-methyl-5-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide
Chemical Structure Depiction of
N-[2-methyl-5-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide
N-[2-methyl-5-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide
Compound characteristics
| Compound ID: | G795-0394 |
| Compound Name: | N-[2-methyl-5-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide |
| Molecular Weight: | 447.58 |
| Molecular Formula: | C24 H21 N3 O2 S2 |
| Smiles: | Cc1ccc(cc1NC(c1c2ccccc2sn1)=O)C(NCc1ccc(cc1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2193 |
| logD: | 5.2192 |
| logSw: | -5.2471 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.035 |
| InChI Key: | KXCOUXMWGFXTDR-UHFFFAOYSA-N |