N-benzyl-5-chloro-N-(4-methoxyphenyl)-2-(propylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-benzyl-5-chloro-N-(4-methoxyphenyl)-2-(propylsulfanyl)pyrimidine-4-carboxamide
N-benzyl-5-chloro-N-(4-methoxyphenyl)-2-(propylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0547 |
| Compound Name: | N-benzyl-5-chloro-N-(4-methoxyphenyl)-2-(propylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 427.95 |
| Molecular Formula: | C22 H22 Cl N3 O2 S |
| Smiles: | CCCSc1ncc(c(C(N(Cc2ccccc2)c2ccc(cc2)OC)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.6877 |
| logD: | 5.6877 |
| logSw: | -5.8592 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.719 |
| InChI Key: | IYJNYRHDKCQVRP-UHFFFAOYSA-N |