methyl 4-(4-methylphenyl)-2-oxo-6-[(thiophene-2-sulfonyl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-(4-methylphenyl)-2-oxo-6-[(thiophene-2-sulfonyl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-(4-methylphenyl)-2-oxo-6-[(thiophene-2-sulfonyl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
Compound ID: | C653-0420 |
Compound Name: | methyl 4-(4-methylphenyl)-2-oxo-6-[(thiophene-2-sulfonyl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
Molecular Weight: | 406.48 |
Molecular Formula: | C18 H18 N2 O5 S2 |
Smiles: | Cc1ccc(cc1)C1C(=C(CS(c2cccs2)(=O)=O)NC(N1)=O)C(=O)OC |
Stereo: | RACEMIC MIXTURE |
logP: | 2.0961 |
logD: | 1.7494 |
logSw: | -2.6922 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 87.255 |
InChI Key: | AHOWTLBLBDXLGN-MRXNPFEDSA-N |