N-(3-acetylphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-5-[(4-methylphenyl)sulfanyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-5-[(4-methylphenyl)sulfanyl]pyrimidine-4-carboxamide
N-(3-acetylphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-5-[(4-methylphenyl)sulfanyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D506-0058 |
| Compound Name: | N-(3-acetylphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-5-[(4-methylphenyl)sulfanyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 499.65 |
| Molecular Formula: | C28 H25 N3 O2 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCc1cccc(C)c1)Sc1ccc(C)cc1)=O)c1cccc(c1)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1397 |
| logD: | 7.1385 |
| logSw: | -5.398 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.199 |
| InChI Key: | NJESAHOVKVFXBH-UHFFFAOYSA-N |