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

HCID 57762467
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기본 정보

표준 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
분자식
C28H31F3N4O2S
평균 분자량
544.6 g/mol

이름 및 식별자

우선 이름
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

이름 및 동의어

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

데이터베이스 식별자

PubChem CID
57762467

물성

구조 계산 물성

XLogP
5.7
극성 표면적
94.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
9
회전 가능 결합 수
11
무거운 원자 수
38

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