Diethyl [2-n-butyl-1-{(2-chlorophenyl)methyl}-1h-imidazol-5-yl]-2-benzylmalonate

HCID 57500985

기본 정보

표준 SMILES
CCCCc1ncc(C(Cc2ccccc2)(C(=O)OCC)C(=O)OCC)n1Cc1ccccc1Cl
InChIKey
OXLVQQYYADCWHP-UHFFFAOYSA-N
분자식
C28H33ClN2O4
평균 분자량
497 g/mol

이름 및 식별자

우선 이름
Diethyl [2-n-butyl-1-{(2-chlorophenyl)methyl}-1h-imidazol-5-yl]-2-benzylmalonate
IUPAC
diethyl 2-benzyl-2-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]propanedioate

이름 및 동의어

diethyl (2-n-butyl-1-{(2-chlorophenyl)methyl}-1H-imidazol-5-yl]-2-benzylmalonatediethyl [2-n-butyl-1-{(2-chlorophenyl)methyl}-1h-imidazol-5-yl]-2-benzylmalonateSCHEMBL7549368OXLVQQYYADCWHP-UHFFFAOYSA-Ndiethyl [2-n-butyl-1-{(2-chlorophenyl)methyl} -1h-imidazol-5-yl]-2-benzylmalonatediethyl [2-n-butyl-1-{(2-chlorophenyl)methyl}-1H-imidazol-5-yl]-2-benzyl -malonatediethyl [2-n-butyl-1-{(2-chlorophenyl)methyl}-1H-imidazol-5-yl]-2-benzyl-malonatediethyl[2-n-butyl-1-[(2-chlorophenyl)methyl]-1H-imidazol-5-yl]-2-benzylmalonate

데이터베이스 식별자

PubChem CID
57500985

물성

구조 계산 물성

XLogP
6.4
극성 표면적
70.4 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
14
무거운 원자 수
35

관련 반응

6건

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