3,4-dimethylphenyl 5-chloro-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carboxylate
Chemical Structure Depiction of
3,4-dimethylphenyl 5-chloro-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carboxylate
3,4-dimethylphenyl 5-chloro-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D233-0304 |
| Compound Name: | 3,4-dimethylphenyl 5-chloro-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carboxylate |
| Molecular Weight: | 336.84 |
| Molecular Formula: | C16 H17 Cl N2 O2 S |
| Smiles: | CC(C)Sc1ncc(c(C(=O)Oc2ccc(C)c(C)c2)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.1771 |
| logD: | 5.1771 |
| logSw: | -5.6841 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.202 |
| InChI Key: | ICBDAFRYZCQJRU-UHFFFAOYSA-N |