methyl 4-[butyl(methyl)amino]-3-{[(5-chloro-2-methoxyphenyl)carbamothioyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-[butyl(methyl)amino]-3-{[(5-chloro-2-methoxyphenyl)carbamothioyl]amino}benzoate
methyl 4-[butyl(methyl)amino]-3-{[(5-chloro-2-methoxyphenyl)carbamothioyl]amino}benzoate
Compound characteristics
| Compound ID: | K784-5615 |
| Compound Name: | methyl 4-[butyl(methyl)amino]-3-{[(5-chloro-2-methoxyphenyl)carbamothioyl]amino}benzoate |
| Molecular Weight: | 435.97 |
| Molecular Formula: | C21 H26 Cl N3 O3 S |
| Smiles: | CCCCN(C)c1ccc(cc1NC(Nc1cc(ccc1OC)[Cl])=S)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.6629 |
| logD: | 5.6617 |
| logSw: | -5.8945 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.373 |
| InChI Key: | ZSYWVYIEFVIRMR-UHFFFAOYSA-N |