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기본 정보
- CAS
126988-14-5- 표준 SMILES
CN(CCNCc1c(O)c(Br)cc2c1CCC2(C)C)CCNC(=O)c1nc(Cl)c(N)nc1N- InChIKey
MHIZNYQKJOLUQY-UHFFFAOYSA-N- 분자식
- C22H31BrClN7O2
- 평균 분자량
- 540.9 g/mol
- 단동위원소 질량
- 539.14111301
개요
structure given in first source
이름 및 식별자
- 우선 이름
- Zeneca ZM 224832
- IUPAC
- 3,5-diamino-N-[2-[2-[(6-bromo-5-hydroxy-1,1-dimethyl-2,3-dihydroinden-4-yl)methylamino]ethyl-methylamino]ethyl]-6-chloropyrazine-2-carboxamide
이름 및 동의어
Zeneca ZM 224832126988-14-5Zeneca ZM-224,832ZENECA ZM224,832Pyrazinecarboxamide, 3,5-diamino-N-(2-((2-(((6-bromo-2,3-dihydro-5-hydroxy-1,1-dimethyl-1H-inden-4-yl)methyl)amino)ethyl)methylamino)ethyl)-6-chloro-RefChem:1959163,5-diamino-N-[2-[2-[(6-bromo-5-hydroxy-1,1-dimethyl-2,3-dihydroinden-4-yl)methylamino]ethyl-methylamino]ethyl]-6-chloropyrazine-2-carboxamideSCHEMBL7290679DTXSID90925753MHIZNYQKJOLUQY-UHFFFAOYSA-NZM 2248323,5-Diamino-N-(2-((2-(((6-bromo-2,3-dihydro-5-hydroxy-1,1-dimethyl-1H-inden-4-yl)methyl)amino)ethyl)methylamino)ethyl)-6-chloropyrazinecarboxamide
이름 더 보기
3,5-Diamino-N-[2-[[2-[[(6-bromo-2,3-dihydro-5-hydroxy1,1-dimethyl-1H-inden-4-yl)methyl]amino]ethyl]methylamino]ethyl]-6-chloropyrazinecarboxamide3,5-Diamino-N-{2-[(2-{[(6-bromo-5-hydroxy-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)methyl]amino}ethyl)(methyl)amino]ethyl}-6-chloropyrazine-2-carboximidic acid
데이터베이스 식별자
- CAS
물성
구조 계산 물성보충 중
- XLogP
- 3.9
- 극성 표면적
- 142 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 660
관련 반응
2건
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