4-(propan-2-yl)phenyl 5-chloro-2-(ethanesulfonyl)pyrimidine-4-carboxylate
Chemical Structure Depiction of
4-(propan-2-yl)phenyl 5-chloro-2-(ethanesulfonyl)pyrimidine-4-carboxylate
4-(propan-2-yl)phenyl 5-chloro-2-(ethanesulfonyl)pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D650-0025 |
| Compound Name: | 4-(propan-2-yl)phenyl 5-chloro-2-(ethanesulfonyl)pyrimidine-4-carboxylate |
| Molecular Weight: | 368.84 |
| Molecular Formula: | C16 H17 Cl N2 O4 S |
| Smiles: | CCS(c1ncc(c(C(=O)Oc2ccc(cc2)C(C)C)n1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7436 |
| logD: | 3.7436 |
| logSw: | -4.1539 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.065 |
| InChI Key: | JERKGDHOXGTGRI-UHFFFAOYSA-N |