methyl 4-[butyl(methyl)amino]-3-{[(2-methylphenyl)carbamothioyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-[butyl(methyl)amino]-3-{[(2-methylphenyl)carbamothioyl]amino}benzoate
methyl 4-[butyl(methyl)amino]-3-{[(2-methylphenyl)carbamothioyl]amino}benzoate
Compound characteristics
| Compound ID: | K784-5612 |
| Compound Name: | methyl 4-[butyl(methyl)amino]-3-{[(2-methylphenyl)carbamothioyl]amino}benzoate |
| Molecular Weight: | 385.53 |
| Molecular Formula: | C21 H27 N3 O2 S |
| Smiles: | CCCCN(C)c1ccc(cc1NC(Nc1ccccc1C)=S)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.2049 |
| logD: | 5.2036 |
| logSw: | -4.975 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.743 |
| InChI Key: | IICNZTIOGIINDT-UHFFFAOYSA-N |