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
- 형식 전하
- 0
- 복잡도
- 703
관련 반응
15건
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