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
Available: 111 mg
Amount:
mg
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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
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