3-{[2-{[(2-methylphenyl)methyl]sulfanyl}-5-(phenylsulfanyl)pyrimidine-4-carbonyl]amino}benzoic acid
Chemical Structure Depiction of
3-{[2-{[(2-methylphenyl)methyl]sulfanyl}-5-(phenylsulfanyl)pyrimidine-4-carbonyl]amino}benzoic acid
3-{[2-{[(2-methylphenyl)methyl]sulfanyl}-5-(phenylsulfanyl)pyrimidine-4-carbonyl]amino}benzoic acid
Compound characteristics
| Compound ID: | D506-0094 |
| Compound Name: | 3-{[2-{[(2-methylphenyl)methyl]sulfanyl}-5-(phenylsulfanyl)pyrimidine-4-carbonyl]amino}benzoic acid |
| Molecular Weight: | 487.6 |
| Molecular Formula: | C26 H21 N3 O3 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCc1ccccc1C)Sc1ccccc1)=O)c1cccc(c1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0679 |
| logD: | 4.1821 |
| logSw: | -5.4291 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.78 |
| InChI Key: | STBRSSCODJCLFG-UHFFFAOYSA-N |