5-chloro-N-(4-ethylphenyl)-2-(propylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(4-ethylphenyl)-2-(propylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-(4-ethylphenyl)-2-(propylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0414 |
| Compound Name: | 5-chloro-N-(4-ethylphenyl)-2-(propylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 335.85 |
| Molecular Formula: | C16 H18 Cl N3 O S |
| Smiles: | [H]N(C(c1c(cnc(n1)SCCC)[Cl])=O)c1ccc(CC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0018 |
| logD: | 5.0004 |
| logSw: | -5.0057 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.915 |
| InChI Key: | TVDYCFQOEBRWDA-UHFFFAOYSA-N |