Methyl(4-{4-[(cyclopropyl-ethyl-amino)methyl]-3-methyl-phenylethynyl}-phenyl)-acetate
기본 정보
- 표준 SMILES
CCN(Cc1ccc(C#Cc2ccc(CC(=O)OC)cc2)cc1C)C1CC1- InChIKey
DQAOCHWQUXFEAA-UHFFFAOYSA-N- 분자식
- C24H27NO2
- 평균 분자량
- 361.5 g/mol
이름 및 식별자
- 우선 이름
- Methyl(4-{4-[(cyclopropyl-ethyl-amino)methyl]-3-methyl-phenylethynyl}-phenyl)-acetate
- IUPAC
- methyl 2-[4-[2-[4-[[cyclopropyl(ethyl)amino]methyl]-3-methylphenyl]ethynyl]phenyl]acetate
이름 및 동의어
DQAOCHWQUXFEAA-UHFFFAOYSA-NMethyl (4-{4-[(cyclopropyl-ethyl-amino)-methy]-3-methyl-phenylethynyl}-phenyl)-acetatemethyl (4-{4-[(cyclopropyl-ethyl-amino)-methyl]-3-methyl-phenylethynyl } -phenyl)-acetatemethyl (4-{4-[(cyclopropyl-ethyl-amino)-methyl]-3-methyl-phenylethynyl }-phenyl)-acetatemethyl (4-{4-[(cyclopropyl-ethyl-amino)-methyl]-3-methyl-phenylethynyl}-phenyl)-acetateMethyl(4-{4-[(cyclopropyl-ethyl-amino)-methyl]-3-methyl-phenylethynyl}-phenyl-acetate)methyl(4-{4-[(cyclopropyl-ethyl-amino)methyl]-3-methyl-phenylethynyl}-phenyl)-acetate
데이터베이스 식별자
- PubChem CID
- 18340273
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 29.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 547
관련 반응
19건
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