ethyl 6-{[benzyl(ethyl)amino]methyl}-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[benzyl(ethyl)amino]methyl}-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[benzyl(ethyl)amino]methyl}-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
Compound ID: | E749-0057 |
Compound Name: | ethyl 6-{[benzyl(ethyl)amino]methyl}-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
Molecular Weight: | 399.51 |
Molecular Formula: | C21 H25 N3 O3 S |
Smiles: | CCN(CC1=C(C(c2cccs2)NC(N1)=O)C(=O)OCC)Cc1ccccc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 2.9474 |
logD: | 2.9474 |
logSw: | -3.2781 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 61.507 |
InChI Key: | MBTWZGQYVNOYSW-IBGZPJMESA-N |