Diethyl [2-n-butyl-1-{(2-chlorophenyl)methyl}-1h-imidazol-5-yl]-2-benzylmalonate
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
- 형식 전하
- 0
- 복잡도
- 651
관련 반응
6건
화합물 노트
불러오는 중…