[4-(2-Cyclopropyl-4,4-dimethyl 1,2,3,4-tetrahydro-isoquinoline-6-yl-ethynyl)-2-fluoro-phenyl]-acetic Acid

HCID 10134200

기본 정보

표준 SMILES
CC1(C)CN(C2CC2)Cc2ccc(C#Cc3ccc(CC(=O)O)c(F)c3)cc21
InChIKey
AZLHHZTWOKNMGH-UHFFFAOYSA-N
분자식
C24H24FNO2
평균 분자량
377.4 g/mol

이름 및 식별자

우선 이름
[4-(2-Cyclopropyl-4,4-dimethyl 1,2,3,4-tetrahydro-isoquinoline-6-yl-ethynyl)-2-fluoro-phenyl]-acetic Acid
IUPAC
2-[4-[2-(2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl)ethynyl]-2-fluorophenyl]acetic acid

이름 및 동의어

SCHEMBL5734603AZLHHZTWOKNMGH-UHFFFAOYSA-N[4-(2-Cyclopropyl-4,4-dimethyl 1,2,3,4-tetrahydro-isoquinoline-6-yl-ethynyl)-2-fluoro-phenyl]-acetic Acid[4-(2-Cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-isoquinolin-6-yl-ethynyl) -2-fluoro-phenyl]-acetic Acid[4-(2-Cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-isoquinolin-6-yl-ethynyl)-2-flouro-phenyl]-acetic Acid[4-(2-Cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-isoquinolin-6-yl-ethynyl)-2-fluoro-phenyl]-acetic acid[4-(2-Cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-isoquinoline-6-yl-ethynyl)-2-fluoro-phenyl]-acetic acid

데이터베이스 식별자

PubChem CID
10134200

물성

구조 계산 물성

XLogP
2.5
극성 표면적
40.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
5
무거운 원자 수
28

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14건

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