Ethyl 4-(4-cyanophenyl)-2-{[2-(diethylamino)ethyl]sulfanyl}-6-methyl-1-[3-(trifluoromethyl)phenyl]-1,4-dihydro-5-pyrimidinecarboxylate

HCID 57762467

Basic information

Standard SMILES
CCOC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(SCCN(CC)CC)=NC1c1ccc(C#N)cc1
InChIKey
FSIUBXJNKPCOCY-UHFFFAOYSA-N
Molecular formula
C28H31F3N4O2S
Average molar mass
544.6 g/mol

Names & identifiers

Preferred name
Ethyl 4-(4-cyanophenyl)-2-{[2-(diethylamino)ethyl]sulfanyl}-6-methyl-1-[3-(trifluoromethyl)phenyl]-1,4-dihydro-5-pyrimidinecarboxylate
IUPAC
ethyl 4-(4-cyanophenyl)-2-[2-(diethylamino)ethylsulfanyl]-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate

Names & synonyms

Ethyl 4-(4-cyanophenyl)-2-{[2-(diethylamino)ethyl]sulfanyl}-6-methyl-1-[3-(trifluoromethyl)phenyl]-1,4-dihydro-5-pyrimidinecarboxylateSCHEMBL2678484Ethyl 4-(4-cyanophenyl)-2-{[2-(diethylamino)ethyl]sulfanyl}-6-methyl-1-[3-(tri-fluoromethyl)phenyl]-1,4dihydro-5-pyrimidinecarboxylate

Database identifiers

PubChem CID
57762467

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
94.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
11
Heavy atoms
38

Related reactions

3 records

Compound notes

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