ethyl 1-methyl-6-{[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-methyl-6-{[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-methyl-6-{[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
Compound ID: | V026-1513 |
Compound Name: | ethyl 1-methyl-6-{[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
Molecular Weight: | 512.63 |
Molecular Formula: | C26 H32 N4 O5 S |
Salt: | not_available |
Smiles: | CCOC(C1C(c2ccccc2)NC(N(C)C=1CN1CCN(CC1)S(c1ccc(C)cc1)(=O)=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.9211 |
logD: | 2.6072 |
logSw: | -3.3487 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 84.041 |
InChI Key: | VYMBZWRQYPNSPK-XMMPIXPASA-N |