2-(4-{(4S,5R)-4,5-Bis-(4-chloro-phenyl)-2-[2-ethoxy-4-(2-hydroxy-1,1-dimethyl-ethyl)-phenyl]-4,5-dihydro-imidazole-1-carbonyl}-piperazin-1-yl)-N-methoxy-N-methyl-acetamide hydrochloride

HCID 11636262
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCOc1cc(C(C)(C)CO)ccc1C1=N[C@@H](c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1C(=O)N1CCN(CC(=O)N(C)OC)CC1.Cl
InChIKey
AQOFSYWVFQHDQP-XWIRJDCTSA-N
분자식
C36H44Cl3N5O5
평균 분자량
733.1 g/mol

이름 및 식별자

우선 이름
2-(4-{(4S,5R)-4,5-Bis-(4-chloro-phenyl)-2-[2-ethoxy-4-(2-hydroxy-1,1-dimethyl-ethyl)-phenyl]-4,5-dihydro-imidazole-1-carbonyl}-piperazin-1-yl)-N-methoxy-N-methyl-acetamide hydrochloride
IUPAC
2-[4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-N-methoxy-N-methylacetamide;hydrochloride

이름 및 동의어

SCHEMBL2013057AQOFSYWVFQHDQP-XWIRJDCTSA-N2-(4-{(4S,5R)-4,5-Bis-(4-chloro-phenyl)-2-[2-ethoxy-4-(2-hydroxy-1,1-dimethyl-ethyl)-phenyl]-4,5-dihydro-imidazole-1-carbonyl}-piperazin-1-yl)-N-methoxy-N-methyl-acetamide hydrochloride

데이터베이스 식별자

PubChem CID
11636262

물성

구조 계산 물성

극성 표면적
98.2 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
7
회전 가능 결합 수
10
무거운 원자 수
49

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