[4-(5-(Cyclopropyl-amino)-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalene-2-yl-ethynyl)-2-fluoro-phenyl] acetic acid ethyl ester

HCID 69548141

기본 정보

표준 SMILES
CCOC(=O)Cc1ccc(C#Cc2ccc3c(c2)C(C)(C)CCC3NC2CC2)cc1F
InChIKey
XOORTQPJJSONCI-UHFFFAOYSA-N
분자식
C27H30FNO2
평균 분자량
419.5 g/mol
단동위원소 질량
419.22605736

이름 및 식별자

우선 이름
[4-(5-(Cyclopropyl-amino)-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalene-2-yl-ethynyl)-2-fluoro-phenyl] acetic acid ethyl ester
IUPAC
ethyl 2-[4-[2-[5-(cyclopropylamino)-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl]ethynyl]-2-fluorophenyl]acetate

이름 및 동의어

SCHEMBL5735431XOORTQPJJSONCI-UHFFFAOYSA-N[4-(5-(Cyclopropyl-amino)-8,8-dimethyl- 5,6,7,8-tetrahydro-naphthalene-2-yl-ethynyl)-2 -fluoro-phenyl]acetic acid ethyl ester[4-(5-(Cyclopropyl-amino)-8,8-dimethyl- 5,6,7,8-tetrahydro-naphthalene-2-yl-ethynyl)-2-fluoro-phenyl]acetic acid ethyl ester[4-(5-(Cyclopropyl-amino)-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalene-2-yl-ethynyl) -2-fluoro-phenyl]acetic Acid Ethyl Ester[4-(5-(Cyclopropyl-amino)-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalene-2-yl-ethynyl)-2-fluoro-phenyl] acetic acid ethyl ester[4-(5-(Cyclopropyl-amino)-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalene-2-yl-ethynyl)-2-fluoro-phenyl]acetic acid ethyl ester[4-(5-(Cyclopropyl-amino)-8.8-dimethyl-5,6,7,8-tetrahydro-naphthalene-2-yl-ethynyl)-2-fluoro-phenyl] acetic acid ethyl ester

데이터베이스 식별자

PubChem CID
69548141

물성

구조 계산 물성

XLogP
5.8
극성 표면적
38.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
8
무거운 원자 수
31

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15건

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