3'-Chloro-3-fluoro-4'-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(3-methyl-2-oxo-2,3-dihydro-benzooxazol-6-yl)-propyl]-biphenyl-4-carboxylic acid methyl ester

HCID 66697142

기본 정보

표준 SMILES
COC(=O)c1ccc(-c2ccc(C(C)C(O)(c3ccc4c(c3)oc(=O)n4C)C(F)(F)F)c(Cl)c2)cc1F
InChIKey
IKAFYHGOZHLCAS-UHFFFAOYSA-N
분자식
C26H20ClF4NO5
평균 분자량
537.9 g/mol
단동위원소 질량
537.0966131

이름 및 식별자

우선 이름
3'-Chloro-3-fluoro-4'-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(3-methyl-2-oxo-2,3-dihydro-benzooxazol-6-yl)-propyl]-biphenyl-4-carboxylic acid methyl ester
IUPAC
methyl 4-[3-chloro-4-[4,4,4-trifluoro-3-hydroxy-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butan-2-yl]phenyl]-2-fluorobenzoate

이름 및 동의어

3'-Chloro-3-fluoro-4'-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(3-methyl-2-oxo-2,3-dihydro-benzooxazol-6-yl)-propyl]-biphenyl-4-carboxylic acid methyl esterSCHEMBL474144

데이터베이스 식별자

PubChem CID
66697142

물성

구조 계산 물성

XLogP
5.9
극성 표면적
76.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
9
회전 가능 결합 수
6
무거운 원자 수
37

관련 반응

6건

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