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

HCID 57732389
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCOc1ccc(C(C)(C)C#N)cc1C1=N[C@@H](c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1C(=O)N1CCN(CC(=O)NC(C)COC)CC1
InChIKey
DHQMKFHLEKQMAM-QQIBRJBOSA-N
분자식
C38H44Cl2N6O4
평균 분자량
719.7 g/mol

이름 및 식별자

우선 이름
2-(4-{(4S,5R)-4,5-Bis-(4-chloro-phenyl)-2-[5-(cyano-dimethyl-methyl)-2-ethoxy-phenyl]-4,5-dihydro-imidazole-1-carbonyl}-piperazin-1-yl)-N-(2-methoxy-1-methyl-ethyl)-acetamide
IUPAC
2-[4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-[5-(2-cyanopropan-2-yl)-2-ethoxyphenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide

이름 및 동의어

SCHEMBL1382776DHQMKFHLEKQMAM-QQIBRJBOSA-N2-(4-{(4S,5R)-4,5-Bis-(4-chloro-phenyl)-2-[5-(cyano-dimethyl-methyl)-2-ethoxy-phenyl]-4,5-dihydro-imidazole-1-carbonyl}-piperazin-1-yl)-N-(2-methoxy-1-methyl-ethyl)-acetamide

데이터베이스 식별자

PubChem CID
57732389

물성

구조 계산 물성

XLogP
5.7
극성 표면적
111 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
11
무거운 원자 수
50

관련 반응

1건
반응 기록 만들기

연결된 노트

불러오는 중…