4-(5-Cyclopropylamino-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalene-2-ylethynyl)-benzoic acid ethyl ester
기본 정보
- 표준 SMILES
CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCC3NC2CC2)cc1- InChIKey
MNBLNFFLLPZIIV-UHFFFAOYSA-N- 분자식
- C26H29NO2
- 평균 분자량
- 387.5 g/mol
- 단동위원소 질량
- 387.21982917
이름 및 식별자
- 우선 이름
- 4-(5-Cyclopropylamino-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalene-2-ylethynyl)-benzoic acid ethyl ester
- IUPAC
- ethyl 4-[2-[5-(cyclopropylamino)-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl]ethynyl]benzoate
이름 및 동의어
SCHEMBL5735552MNBLNFFLLPZIIV-UHFFFAOYSA-N4-(5-Cyclopropvlamino-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalene-2yl-ethynyl)-benzoic acid ethyl ester4-(5-Cyclopropylamino-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalene-2 yl-ethynyl)-benzoic acid ethyl ester4-(5-cyclopropylamino-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalene-2-ylethynyl)-benzoic acid ethyl ester4-(5-Cyclopropylamino-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalene-2yl-ethynyl)-benzoic acid ethyl ester4-(5-cyclopropylamino-8,8-dimethyl-5,6,7,8-tetrahydronaphthalene-2-ylethynyl)-benzoic acid ethyl ester4-(5-Cyclopropylamino-8,8-dimethyl-5,6,7,8-tetrahydronaphthalene-2yl-ethynyl)-benzoic acid ethyl ester
데이터베이스 식별자
- PubChem CID
- 12971708
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 38.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 644
관련 반응
20건
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