[4-(2-Cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-isoquinolin-6-ylethynyl)-2-fluoro-phenyl]-acetic acid ethyl ester

HCID 69548286

기본 정보

표준 SMILES
CCOC(=O)Cc1ccc(C#Cc2ccc3c(c2)C(C)(C)CN(C2CC2)C3)cc1F
InChIKey
JJZJSGUKRPHAIB-UHFFFAOYSA-N
분자식
C26H28FNO2
평균 분자량
405.5 g/mol

이름 및 식별자

우선 이름
[4-(2-Cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-isoquinolin-6-ylethynyl)-2-fluoro-phenyl]-acetic acid ethyl ester
IUPAC
ethyl 2-[4-[2-(2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl)ethynyl]-2-fluorophenyl]acetate

이름 및 동의어

SCHEMBL5735894JJZJSGUKRPHAIB-UHFFFAOYSA-N[4-(2-Cyclopropyl-4,4-dimethyl 1,2,3,4-tetrahydro-isoquinolin-6-yl-ethynyl)-2-fluoro-phenyl]-acetic acid ethyl ester[4-(2-Cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-isoquinolin-6-yl-ethynyl) -2-fluoro-phenyl]-acetic Acid Ethyl Ester[4-(2-Cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-isoquinolin-6-yl-ethynyl)-2-fluoro-phenyl]-acetic acid ethyl ester[4-(2-cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-isoquinolin-6-ylethynyl)-2-fluoro-phenyl]-acetic acid ethyl ester[4-(2-Cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-isoquinoline-6-yl-ethynyl)-2-fluoro-phenyl]-acetic acid ethyl ester[4-(2-cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-isoquinoline-6-ylethynyl)-2-fluoro-phenyl]-acetic acid ethyl ester

데이터베이스 식별자

PubChem CID
69548286

물성

구조 계산 물성

XLogP
5.5
극성 표면적
29.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
7
무거운 원자 수
30

관련 반응

27건

화합물 노트

불러오는 중…