2-[4-[[(4S,5R)-4,5-Bis(4-chlorophenyl)-2-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-1H-imidazol-1-YL]carbonyl]-1-piperazinyl]-1-(4-morpholinyl)ethanone (HCID 11721840)

기본 정보

표준 SMILES: CCOc1cc(C(C)(C)C)ccc1C1=N[C@@H](c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1
InChIKey: GIACJSLWRXWOGS-OIDHKYIRSA-N
분자식: C38H45Cl2N5O4
평균 분자량: 706.7 g/mol
단동위원소 질량: 705.2848603

이름 및 식별자

우선 이름: 2-[4-[[(4S,5R)-4,5-Bis(4-chlorophenyl)-2-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-1H-imidazol-1-YL]carbonyl]-1-piperazinyl]-1-(4-morpholinyl)ethanone
IUPAC: 2-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone

이름 및 동의어

2-[4-[[(4S,5R)-4,5-BIS(4-CHLOROPHENYL)-2-[4-(1,1-DIMETHYLETHYL)-2-ETHOXYPHENYL]-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]CARBONYL]-1-PIPERAZINYL]-1-(4-MORPHOLINYL)ETHANONE870120-40-4SCHEMBL2005001GIACJSLWRXWOGS-OIDHKYIRSA-NDB-3028162-{4-[(4S,5R)-2-(4-tert-butyl-2-ethoxy-phenyl)-4,5-bis-(4-chloro-phenyl)-4,5-dihydro-imidazole-1-carbonyl]-piperazin-1-yl}-1-morpholin-4-yl-ethanone

데이터베이스 식별자

PubChem CID: 11721840

물성

구조 계산 물성

XLogP: 6.3
극성 표면적: 77.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 8
무거운 원자 수: 49
형식 전하: 0
복잡도: 1,140

화합물 노트

불러오는 중…