기본 정보
- CAS
105357-17-3- 표준 SMILES
CN(CCc1ccccn1)C(=O)CCSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cl- InChIKey
MCQQQXHGLCUPHW-UHFFFAOYSA-N- 분자식
- C25H37ClN2O2S
- 평균 분자량
- 465.1 g/mol
- 단동위원소 질량
- 464.2264271
개요
potential lipoxygenase inhibitor
이름 및 식별자
- 우선 이름
- SC 41661A
- IUPAC
- 3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-N-methyl-N-(2-pyridin-2-ylethyl)propanamide;hydrochloride
이름 및 동의어
SC 41661ASC-41661ASC41661ARefChem:181612148047-03-43-(3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)thiol-N-methyl-N-((2-pyridinyl)propanamide) hydrochloride105357-17-3Propanamide, 3-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)thio)-N-methyl-N-(2-(2-pyridinyl)ethyl)-, monohydrochloride3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-N-methyl-N-(2-pyridin-2-ylethyl)propanamide;hydrochlorideSCHEMBL9493529DTXSID40909462MCQQQXHGLCUPHW-UHFFFAOYSA-N
이름 더 보기
3-[(3,5-Di-tert-butyl-4-hydroxyphenyl)sulfanyl]-N-methyl-N-[2-(pyridin-2-yl)ethyl]propanamide--hydrogen chloride (1/1)3-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-N-methyl-N-[2-(2-pyridinyl)ethyl]propanamide monohydrochloride
데이터베이스 식별자
- CAS
105357-17-3- PubChem CID
- 188930
- DTXSID
DTXSID40909462
물성
구조 계산 물성
- 극성 표면적
- 78.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 516
관련 반응
4건
화합물 노트
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