2,3-dimethylphenyl 5-chloro-2-(propylsulfanyl)pyrimidine-4-carboxylate
Chemical Structure Depiction of
2,3-dimethylphenyl 5-chloro-2-(propylsulfanyl)pyrimidine-4-carboxylate
2,3-dimethylphenyl 5-chloro-2-(propylsulfanyl)pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D054-0450 |
| Compound Name: | 2,3-dimethylphenyl 5-chloro-2-(propylsulfanyl)pyrimidine-4-carboxylate |
| Molecular Weight: | 336.84 |
| Molecular Formula: | C16 H17 Cl N2 O2 S |
| Smiles: | CCCSc1ncc(c(C(=O)Oc2cccc(C)c2C)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.9685 |
| logD: | 4.9685 |
| logSw: | -5.0344 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.288 |
| InChI Key: | AXYQTBWSKDVDBI-UHFFFAOYSA-N |