methyl 3-{[(5-chloro-2-methoxyphenyl)carbamothioyl]amino}-4-(dipropylamino)benzoate
Chemical Structure Depiction of
methyl 3-{[(5-chloro-2-methoxyphenyl)carbamothioyl]amino}-4-(dipropylamino)benzoate
methyl 3-{[(5-chloro-2-methoxyphenyl)carbamothioyl]amino}-4-(dipropylamino)benzoate
Compound characteristics
| Compound ID: | K784-5609 |
| Compound Name: | methyl 3-{[(5-chloro-2-methoxyphenyl)carbamothioyl]amino}-4-(dipropylamino)benzoate |
| Molecular Weight: | 450 |
| Molecular Formula: | C22 H28 Cl N3 O3 S |
| Smiles: | CCCN(CCC)c1ccc(cc1NC(Nc1cc(ccc1OC)[Cl])=S)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 6.4619 |
| logD: | 6.4549 |
| logSw: | -6.3338 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.412 |
| InChI Key: | QBDVXTODTIRNCR-UHFFFAOYSA-N |