N-benzyl-2-{[(3-methylphenyl)methyl]sulfanyl}-5-(phenylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-benzyl-2-{[(3-methylphenyl)methyl]sulfanyl}-5-(phenylsulfanyl)pyrimidine-4-carboxamide
N-benzyl-2-{[(3-methylphenyl)methyl]sulfanyl}-5-(phenylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D506-0041 |
| Compound Name: | N-benzyl-2-{[(3-methylphenyl)methyl]sulfanyl}-5-(phenylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 457.62 |
| Molecular Formula: | C26 H23 N3 O S2 |
| Smiles: | [H]N(Cc1ccccc1)C(c1c(cnc(n1)SCc1cccc(C)c1)Sc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3817 |
| logD: | 6.3816 |
| logSw: | -5.329 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.694 |
| InChI Key: | YOCVFTQLPURMCC-UHFFFAOYSA-N |