methyl 4-[butyl(methyl)amino]-3-{[(3-methoxyphenyl)carbamothioyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-[butyl(methyl)amino]-3-{[(3-methoxyphenyl)carbamothioyl]amino}benzoate
methyl 4-[butyl(methyl)amino]-3-{[(3-methoxyphenyl)carbamothioyl]amino}benzoate
Compound characteristics
| Compound ID: | K784-5614 |
| Compound Name: | methyl 4-[butyl(methyl)amino]-3-{[(3-methoxyphenyl)carbamothioyl]amino}benzoate |
| Molecular Weight: | 401.53 |
| Molecular Formula: | C21 H27 N3 O3 S |
| Smiles: | CCCCN(C)c1ccc(cc1NC(Nc1cccc(c1)OC)=S)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.2352 |
| logD: | 5.2341 |
| logSw: | -5.0155 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.984 |
| InChI Key: | MPWOLQZCPODLAN-UHFFFAOYSA-N |