methyl 3-{[(3,5-dimethylphenyl)carbamothioyl]amino}-4-(dipropylamino)benzoate
Chemical Structure Depiction of
methyl 3-{[(3,5-dimethylphenyl)carbamothioyl]amino}-4-(dipropylamino)benzoate
methyl 3-{[(3,5-dimethylphenyl)carbamothioyl]amino}-4-(dipropylamino)benzoate
Compound characteristics
| Compound ID: | K784-5607 |
| Compound Name: | methyl 3-{[(3,5-dimethylphenyl)carbamothioyl]amino}-4-(dipropylamino)benzoate |
| Molecular Weight: | 413.58 |
| Molecular Formula: | C23 H31 N3 O2 S |
| Smiles: | CCCN(CCC)c1ccc(cc1NC(Nc1cc(C)cc(C)c1)=S)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 6.6607 |
| logD: | 6.6539 |
| logSw: | -5.6234 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.48 |
| InChI Key: | RLTFHRSSWKQRRJ-UHFFFAOYSA-N |