rac-(4S*,5R*)-4,5-Bis-(4-chloro-phenyl)-2-[4-(cyano-dimethyl-methyl)-2-ethoxy-phenyl]-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl chloride (HCID 72455749)｜Huagongshe

rac-(4S,5R)-4,5-Bis-(4-chloro-phenyl)-2-[4-(cyano-dimethyl-methyl)-2-ethoxy-phenyl]-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl chloride

HCID 72455749

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOc1cc(C(C)(C)C#N)ccc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)Cl
InChIKey: IMZKAUAWQIBEFZ-UHFFFAOYSA-N
분자식: C30H28Cl3N3O2
평균 분자량: 568.9 g/mol

이름 및 식별자

우선 이름: rac-(4S*,5R*)-4,5-Bis-(4-chloro-phenyl)-2-[4-(cyano-dimethyl-methyl)-2-ethoxy-phenyl]-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl chloride
IUPAC: 4,5-bis(4-chlorophenyl)-2-[4-(2-cyanopropan-2-yl)-2-ethoxyphenyl]-4,5-dimethylimidazole-1-carbonyl chloride

이름 및 동의어

SCHEMBL3543461IMZKAUAWQIBEFZ-UHFFFAOYSA-Nrac-(4S*,5R*)-4,5-Bis-(4-chloro-phenyl)-2-[4-(cyano-dimethyl-methyl)-2-ethoxy-phenyl]-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl chloride

데이터베이스 식별자

PubChem CID: 72455749

물성

구조 계산 물성

XLogP: 7.7
극성 표면적: 65.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 38
형식 전하: 0
복잡도: 948

관련 반응

20건

반응 기록 만들기

HRID 140279 반응식

HRID 140279반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 190525 반응식

HRID 190525반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 212817 반응식

HRID 212817반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 284559 반응식

HRID 284559반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 832121 반응식

HRID 832121반응물로Test data from https://doi.org/10.1039/C8SC04228D

HRID 954580 반응식

HRID 954580반응물로Validation data from https://doi.org/10.1039/C8SC04228D

HRID 1117656 반응식

HRID 1117656반응물로Training data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1151239 반응식

HRID 1151239반응물로Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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