(4S,5R)-2-(4-tert-butyl-2-ethoxy-phenyl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl chloride

HCID 58894207

기본 정보

CAS
939981-36-9
표준 SMILES
CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)Cl
InChIKey
ATUPWLCYCJXZHW-XZWHSSHBSA-N
분자식
C30H31Cl3N2O2
평균 분자량
557.9 g/mol
단동위원소 질량
556.14511127

이름 및 식별자

우선 이름
(4S,5R)-2-(4-tert-butyl-2-ethoxy-phenyl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl chloride
IUPAC
(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl chloride

이름 및 동의어

SCHEMBL1547184SCHEMBL31033507ATUPWLCYCJXZHW-XZWHSSHBSA-NDTXSID301101977(4S,5R)-2-(4-tert-butyl-2-ethoxy-phenyl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl chloride939981-36-9rel-(4R,5S)-4,5-Bis(4-chlorophenyl)-2-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-4,5-dimethyl-1H-imidazole-1-carbonyl chloride

데이터베이스 식별자

CAS
939981-36-9
PubChem CID
58894207
DTXSID
DTXSID301101977

물성

구조 계산 물성

XLogP
8.8
극성 표면적
41.9 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
6
무거운 원자 수
37

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