methyl 3-{[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]sulfanyl}propanoate
Chemical Structure Depiction of
methyl 3-{[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]sulfanyl}propanoate
methyl 3-{[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | Y600-2182 |
| Compound Name: | methyl 3-{[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]sulfanyl}propanoate |
| Molecular Weight: | 391.87 |
| Molecular Formula: | C19 H18 Cl N O4 S |
| Smiles: | COC(CCSCC(Nc1ccc(cc1C(c1ccccc1)=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6143 |
| logD: | 3.5847 |
| logSw: | -4.0988 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.736 |
| InChI Key: | UOHRKSYVDMGSDG-UHFFFAOYSA-N |