5-chloro-N-(4-chlorophenyl)-2-{[(4-chlorophenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(4-chlorophenyl)-2-{[(4-chlorophenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
5-chloro-N-(4-chlorophenyl)-2-{[(4-chlorophenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | IB03-4917 |
| Compound Name: | 5-chloro-N-(4-chlorophenyl)-2-{[(4-chlorophenyl)methyl]sulfanyl}pyrimidine-4-carboxamide |
| Molecular Weight: | 424.73 |
| Molecular Formula: | C18 H12 Cl3 N3 O S |
| Smiles: | C(c1ccc(cc1)[Cl])Sc1ncc(c(C(Nc2ccc(cc2)[Cl])=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.73 |
| logD: | 5.67 |
| logSw: | -6.77 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.2 |
| InChI Key: | QHCLEASRIUPVKH-UHFFFAOYSA-N |