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
- 형식 전하
- 0
- 복잡도
- 658
관련 반응
14건
화합물 노트
불러오는 중…