4-ethylphenyl 5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
Chemical Structure Depiction of
4-ethylphenyl 5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
4-ethylphenyl 5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D491-0227 |
| Compound Name: | 4-ethylphenyl 5-chloro-2-[(4-methylphenyl)methanesulfonyl]pyrimidine-4-carboxylate |
| Molecular Weight: | 430.91 |
| Molecular Formula: | C21 H19 Cl N2 O4 S |
| Smiles: | CCc1ccc(cc1)OC(c1c(cnc(n1)S(Cc1ccc(C)cc1)(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7925 |
| logD: | 4.7925 |
| logSw: | -4.8852 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.794 |
| InChI Key: | SCZJJIRKUQMNFT-UHFFFAOYSA-N |