methyl 4-[(4-chlorophenyl)sulfanyl]-3-{[(4-phenoxyphenyl)carbamothioyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-[(4-chlorophenyl)sulfanyl]-3-{[(4-phenoxyphenyl)carbamothioyl]amino}benzoate
methyl 4-[(4-chlorophenyl)sulfanyl]-3-{[(4-phenoxyphenyl)carbamothioyl]amino}benzoate
Compound characteristics
| Compound ID: | K786-1404 |
| Compound Name: | methyl 4-[(4-chlorophenyl)sulfanyl]-3-{[(4-phenoxyphenyl)carbamothioyl]amino}benzoate |
| Molecular Weight: | 521.06 |
| Molecular Formula: | C27 H21 Cl N2 O3 S2 |
| Smiles: | COC(c1ccc(c(c1)NC(Nc1ccc(cc1)Oc1ccccc1)=S)Sc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 8.5519 |
| logD: | 8.5519 |
| logSw: | -6.5439 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.013 |
| InChI Key: | UFFAVRRJPSEDKW-UHFFFAOYSA-N |