N-(2-ethoxyphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-5-(phenylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-(2-ethoxyphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-5-(phenylsulfanyl)pyrimidine-4-carboxamide
N-(2-ethoxyphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-5-(phenylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D506-0190 |
| Compound Name: | N-(2-ethoxyphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-5-(phenylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C26 H22 F N3 O2 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCc1ccc(cc1)F)Sc1ccccc1)=O)c1ccccc1OCC |
| Stereo: | ACHIRAL |
| logP: | 6.2681 |
| logD: | 6.2675 |
| logSw: | -5.4042 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.884 |
| InChI Key: | CBWLHROOYRTLNU-UHFFFAOYSA-N |