N-(2-benzoyl-4-chlorophenyl)-4-ethyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(2-benzoyl-4-chlorophenyl)-4-ethyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
N-(2-benzoyl-4-chlorophenyl)-4-ethyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E727-0991 |
| Compound Name: | N-(2-benzoyl-4-chlorophenyl)-4-ethyl-2-(methylsulfanyl)pyrimidine-5-carboxamide |
| Molecular Weight: | 411.91 |
| Molecular Formula: | C21 H18 Cl N3 O2 S |
| Smiles: | CCc1c(cnc(n1)SC)C(Nc1ccc(cc1C(c1ccccc1)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8545 |
| logD: | 4.0936 |
| logSw: | -4.8262 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.18 |
| InChI Key: | CXHRVADXINLTQF-UHFFFAOYSA-N |