2-methylpropyl 4-[3-(2-chlorobenzamido)phenyl]-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-methylpropyl 4-[3-(2-chlorobenzamido)phenyl]-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-methylpropyl 4-[3-(2-chlorobenzamido)phenyl]-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
Compound ID: | V014-0267 |
Compound Name: | 2-methylpropyl 4-[3-(2-chlorobenzamido)phenyl]-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
Molecular Weight: | 486.03 |
Molecular Formula: | C25 H28 Cl N3 O3 S |
Smiles: | CCN1C(C)=C(C(c2cccc(c2)NC(c2ccccc2[Cl])=O)NC1=S)C(=O)OCC(C)C |
Stereo: | RACEMIC MIXTURE |
logP: | 5.2465 |
logD: | 5.2452 |
logSw: | -5.4912 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 58.692 |
InChI Key: | RBEDFZXFROLBNM-QFIPXVFZSA-N |