4-chlorophenyl 5-chloro-2-(ethylsulfanyl)pyrimidine-4-carboxylate
Chemical Structure Depiction of
4-chlorophenyl 5-chloro-2-(ethylsulfanyl)pyrimidine-4-carboxylate
4-chlorophenyl 5-chloro-2-(ethylsulfanyl)pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D054-0134 |
| Compound Name: | 4-chlorophenyl 5-chloro-2-(ethylsulfanyl)pyrimidine-4-carboxylate |
| Molecular Weight: | 329.2 |
| Molecular Formula: | C13 H10 Cl2 N2 O2 S |
| Smiles: | CCSc1ncc(c(C(=O)Oc2ccc(cc2)[Cl])n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.4175 |
| logD: | 4.4175 |
| logSw: | -4.4713 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.202 |
| InChI Key: | KYCNGDFWZRMRNK-UHFFFAOYSA-N |