Tert-butyl 5-(4-tert-butoxycarbonyl-3-methyl-phenyl)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole-2-carboxylate

HCID 86696003

기본 정보

표준 SMILES
Cc1cc(C2=NC(C(=O)OC(C)(C)C)C(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)OC(C)(C)C
InChIKey
IWCLKVDBCBLOPY-UHFFFAOYSA-N
분자식
C28H30Cl2F3NO4
평균 분자량
572.4 g/mol

이름 및 식별자

우선 이름
Tert-butyl 5-(4-tert-butoxycarbonyl-3-methyl-phenyl)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole-2-carboxylate
IUPAC
tert-butyl 3-(3,5-dichlorophenyl)-5-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-3-(trifluoromethyl)-2,4-dihydropyrrole-2-carboxylate

이름 및 동의어

tert-butyl 5-(4-tert-butoxycarbonyl-3-methyl-phenyl)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole-2-carboxylateSCHEMBL14856137

데이터베이스 식별자

PubChem CID
86696003

물성

구조 계산 물성

XLogP
7.7
극성 표면적
65 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
8
회전 가능 결합 수
8
무거운 원자 수
38

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