1-[6-methyl-3-(2-methylpropyl)-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidin-5-yl]piperidine-4-carboxylic acid
Chemical Structure Depiction of
1-[6-methyl-3-(2-methylpropyl)-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidin-5-yl]piperidine-4-carboxylic acid
1-[6-methyl-3-(2-methylpropyl)-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidin-5-yl]piperidine-4-carboxylic acid
Compound characteristics
Compound ID: | C066-5550 |
Compound Name: | 1-[6-methyl-3-(2-methylpropyl)-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidin-5-yl]piperidine-4-carboxylic acid |
Molecular Weight: | 385.46 |
Molecular Formula: | C21 H27 N3 O4 |
Smiles: | CC(C)CN1C(C(=C(C)N(C1=O)c1ccccc1)N1CCC(CC1)C(O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.1009 |
logD: | -0.4521 |
logSw: | -2.2332 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.207 |
InChI Key: | CSBNYHAWLDNBPL-UHFFFAOYSA-N |