5-chloro-N-[(4-methoxyphenyl)methyl]-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[(4-methoxyphenyl)methyl]-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
5-chloro-N-[(4-methoxyphenyl)methyl]-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0104 |
| Compound Name: | 5-chloro-N-[(4-methoxyphenyl)methyl]-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide |
| Molecular Weight: | 413.92 |
| Molecular Formula: | C21 H20 Cl N3 O2 S |
| Smiles: | [H]N(Cc1ccc(cc1)OC)C(c1c(cnc(n1)SCc1ccc(C)cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5411 |
| logD: | 4.5411 |
| logSw: | -4.5107 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.509 |
| InChI Key: | BGTRZDMMTIBBPK-UHFFFAOYSA-N |