N-(2-methoxyphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-5-(phenylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-(2-methoxyphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-5-(phenylsulfanyl)pyrimidine-4-carboxamide
N-(2-methoxyphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-5-(phenylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D506-0027 |
| Compound Name: | N-(2-methoxyphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-5-(phenylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 473.62 |
| Molecular Formula: | C26 H23 N3 O2 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCc1cccc(C)c1)Sc1ccccc1)=O)c1ccccc1OC |
| Stereo: | ACHIRAL |
| logP: | 6.7417 |
| logD: | 6.741 |
| logSw: | -5.4362 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.305 |
| InChI Key: | QBSXXFUOCKBSQV-UHFFFAOYSA-N |