Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용

HCID 57732405생성일: 2026년 10월 25일

2-(4-{(4S,5R)-4,5-Bis-(4-chloro-phenyl)-1-[4-(3,5-dimethyl-isoxazole-4-carbonyl)-piperazine-1-carbonyl]-4,5-dihydro-1H-imidazol-2-yl}-3-ethoxy-phenyl)-2-methyl-propionitrile

https://huagongshe.com/ko/chemical/57732405

2-(4-{(4S,5R)-4,5-Bis-(4-chloro-phenyl)-1-[4-(3,5-dimethyl-isoxazole-4-carbonyl)-piperazine-1-carbonyl]-4,5-dihydro-1H-imidazol-2-yl}-3-ethoxy-phenyl)-2-methyl-propionitrile 분자 구조식

식별자 및 물리적 특성

분자식	C38H38Cl2N6O4
평균 분자량	713.6 g/mol
SMILES	CCOc1cc(C(C)(C)C#N)ccc1C1=N[C@@H](c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1C(=O)N1CCN(C(=O)c2c(C)noc2C)CC1
InChIKey	LDUJWDKBYOAXHW-SZAHLOSFSA-N
PubChem CID	57732405

화학 및 물리적 성질

XLogP	6.4
극성 표면적	115
수소 결합 공여자 수	0
수소 결합 수용자 수	7
회전 가능 결합 수	7
무거운 원자 수	50
형식 전하	0
복잡도	1,280

2-(4-{(4S,5R)-4,5-Bis-(4-chloro-phenyl)-1-[4-(3,5-dimethyl-isoxazole-4-carbonyl)-piperazine-1-carbonyl]-4,5-dihydro-1H-imidazol-2-yl}-3-ethoxy-phenyl)-2-methyl-propionitrile｜Huagongshe