methyl 4-[butyl(methyl)amino]-3-({[3-(methylsulfanyl)phenyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-[butyl(methyl)amino]-3-({[3-(methylsulfanyl)phenyl]carbamothioyl}amino)benzoate
methyl 4-[butyl(methyl)amino]-3-({[3-(methylsulfanyl)phenyl]carbamothioyl}amino)benzoate
Compound characteristics
| Compound ID: | K784-5618 |
| Compound Name: | methyl 4-[butyl(methyl)amino]-3-({[3-(methylsulfanyl)phenyl]carbamothioyl}amino)benzoate |
| Molecular Weight: | 417.59 |
| Molecular Formula: | C21 H27 N3 O2 S2 |
| Smiles: | CCCCN(C)c1ccc(cc1NC(Nc1cccc(c1)SC)=S)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.6297 |
| logD: | 5.6286 |
| logSw: | -5.3249 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.441 |
| InChI Key: | SXTLNOQCWXSZHD-UHFFFAOYSA-N |