2-(methylsulfanyl)ethyl 4-(2-chloro-6-fluorophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-(methylsulfanyl)ethyl 4-(2-chloro-6-fluorophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-(methylsulfanyl)ethyl 4-(2-chloro-6-fluorophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
Compound ID: | 8014-3582 |
Compound Name: | 2-(methylsulfanyl)ethyl 4-(2-chloro-6-fluorophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
Molecular Weight: | 372.84 |
Molecular Formula: | C16 H18 Cl F N2 O3 S |
Smiles: | CC1=C(C(c2c(cccc2[Cl])F)NC(N1C)=O)C(=O)OCCSC |
Stereo: | RACEMIC MIXTURE |
logP: | 2.5358 |
logD: | 2.5329 |
logSw: | -3.2964 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 48.723 |
InChI Key: | NDOZYFBJFQPHHD-AWEZNQCLSA-N |