methyl 4-[butyl(methyl)amino]-3-{[(3,4-dimethylphenyl)carbamothioyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-[butyl(methyl)amino]-3-{[(3,4-dimethylphenyl)carbamothioyl]amino}benzoate
methyl 4-[butyl(methyl)amino]-3-{[(3,4-dimethylphenyl)carbamothioyl]amino}benzoate
Compound characteristics
| Compound ID: | K784-5611 |
| Compound Name: | methyl 4-[butyl(methyl)amino]-3-{[(3,4-dimethylphenyl)carbamothioyl]amino}benzoate |
| Molecular Weight: | 399.55 |
| Molecular Formula: | C22 H29 N3 O2 S |
| Smiles: | CCCCN(C)c1ccc(cc1NC(Nc1ccc(C)c(C)c1)=S)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 6.1562 |
| logD: | 6.1551 |
| logSw: | -5.3952 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.441 |
| InChI Key: | KMARERREQASQKN-UHFFFAOYSA-N |