ethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-{[(4-methylphenyl)sulfanyl]methyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-{[(4-methylphenyl)sulfanyl]methyl}pyrimidine-5-carboxylate
ethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-{[(4-methylphenyl)sulfanyl]methyl}pyrimidine-5-carboxylate
Compound characteristics
Compound ID: | 6809-0105 |
Compound Name: | ethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-{[(4-methylphenyl)sulfanyl]methyl}pyrimidine-5-carboxylate |
Molecular Weight: | 420.49 |
Molecular Formula: | C22 H20 N4 O3 S |
Smiles: | CCOC(c1cnc(Nc2nc3ccccc3o2)nc1CSc1ccc(C)cc1)=O |
Stereo: | ACHIRAL |
logP: | 5.5527 |
logD: | 5.5469 |
logSw: | -5.2571 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 69.52 |
InChI Key: | NOBPMJYBLLZVCU-UHFFFAOYSA-N |