기본 정보
- CAS
76298-89-0- 표준 SMILES
C=CCc1ccccc1OCC(O)CNC1(C)CCC(C(C)(C)NC(=O)CBr)CC1- InChIKey
UAXZWLFRPNDCMX-UHFFFAOYSA-N- 분자식
- C24H37BrN2O3
- 평균 분자량
- 481.5 g/mol
- 단동위원소 질량
- 480.19876
개요
irreversibly inactivates the dihydroalprenolol binding site; alprenolol analog; isopropylamino group of alprenolol replaced by 8-bromoacetylamino-1-amino-p-menthane moiety in the 1 position; structure given in first source
이름 및 식별자
- 우선 이름
- 2-Bromo-N-(1-(4-((2-hydroxy-3-(2-(2-propen-1-yl)phenoxy)propyl)amino)-4-methylcyclohexyl)-1-methylethyl)acetamide
- IUPAC
- 2-bromo-N-[2-[4-[[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]amino]-4-methylcyclohexyl]propan-2-yl]acetamide
- 영어명
- 1-(2-allylphenoxy)-3-((8-bromoacetylamino-4-menthane-1-yl)amino)-1-propanol
- 분자식
- C24H37BrN2O3
- 분자량
- 481.47
이름 및 동의어
76298-89-0Br-1-Alpm1-(2-Allylphenoxy)-3-((8-bromoacetylamino-4-menthane-1-yl)amino)-1-propanolAcetamide, 2-bromo-N-(1-(4-((2-hydroxy-3-(2-(2-propenyl)phenoxy)propyl)amino)-4-methylcyclohexyl)-1-methylethyl)-RefChem:9096822-Bromo-N-(1-(4-((2-hydroxy-3-(2-(2-propen-1-yl)phenoxy)propyl)amino)-4-methylcyclohexyl)-1-methylethyl)acetamideBrAAMBromoacetylalprenololmenthanecis-BrAAM2-bromo-N-[2-[4-[[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]amino]-4-methylcyclohexyl]propan-2-yl]acetamide97879-27-1bromoacetylalprenololmentane
이름 더 보기
Acetamide, 2-bromo-N-[1-[4-[[2-hydroxy-3-[2-(2-propen-1-yl)phenoxy]propyl]amino]-4-methylcyclohexyl]-1-methylethyl]-
M-75CHEMBL46136orb1698883SCHEMBL29367551DTXSID70997650BDBM50225367AKOS0407498772-Bromo-N-(1-(4-((2-hydroxy-3-(2-(2-propenyl)phenoxy)propyl)amino)-4-methylcyclohexyl)-1-methylethyl)acetamide
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 70.6 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 547
물리화학적 성질
- 끓는 점
- 633.3 · 633.3±55.0 °C(Predicted)
- 밀도
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.84 · 13.84±0.46(Predicted)
화학 및 산업
공급사2 곳
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…