3-[3-(3,5-Dichloro-4-fluoro-phenyl)-4,4,4-trifluoro-3-hydroxy-butyryl]-5,6-dihydro-4H-cyclopenta[c]thiophene-1-carboxylic acid methyl ester

HCID 86693748

기본 정보

표준 SMILES
COC(=O)c1sc(C(=O)CC(O)(c2cc(Cl)c(F)c(Cl)c2)C(F)(F)F)c2c1CCC2
InChIKey
TUEXRMAREJORBD-UHFFFAOYSA-N
분자식
C19H14Cl2F4O4S
평균 분자량
485.3 g/mol

이름 및 식별자

우선 이름
3-[3-(3,5-Dichloro-4-fluoro-phenyl)-4,4,4-trifluoro-3-hydroxy-butyryl]-5,6-dihydro-4H-cyclopenta[c]thiophene-1-carboxylic acid methyl ester
IUPAC
methyl 1-[3-(3,5-dichloro-4-fluorophenyl)-4,4,4-trifluoro-3-hydroxybutanoyl]-5,6-dihydro-4H-cyclopenta[c]thiophene-3-carboxylate

이름 및 동의어

3-[3-(3,5-Dichloro-4-fluoro-phenyl)-4,4,4-trifluoro-3-hydroxy-butyryl]-5,6-dihydro-4H-cyclopenta[c]thiophene-1-carboxylic acid methyl esterSCHEMBL138579131414377-96-0DB-1937733-[3-(3,5-Dichloro-4-fluoro-phenyl)-4,4,4-trifluoro-3-hydroxyl-butyryl]-5,6-dihydro-4H-cyclopenta[c]thiophene-1-carboxylic acid methyl ester

데이터베이스 식별자

PubChem CID
86693748

물성

구조 계산 물성

XLogP
5.7
극성 표면적
91.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
9
회전 가능 결합 수
6
무거운 원자 수
30

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