diethyl 1-{2-[3-(1-naphthyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
기본 정보
- CAS
438228-01-4- 표준 SMILES
CCOC(=O)c1nnn(CC(=O)N2N=C(c3cccc4ccccc34)CC2c2ccccc2)c1C(=O)OCC- InChIKey
KKDZYPYJTQYQMS-UHFFFAOYSA-N- 분자식
- C29H27N5O5
- 평균 분자량
- 525.6 g/mol
이름 및 식별자
- 우선 이름
- diethyl 1-{2-[3-(1-naphthyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
- IUPAC
- diethyl 1-[2-(5-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]triazole-4,5-dicarboxylate
- 영어명
- diethyl 1-{2-[3-(1-naphthyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
- 분자식
- C29H27N5O5
- 분자량
- 525.55518
이름 및 동의어
diethyl 1-{2-[3-(1-naphthyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylatediethyl 1-(2-(3-(naphthalen-1-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl)-1H-1,2,3-triazole-4,5-dicarboxylatediethyl 1-{2-[3-(naphthalen-1-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylateSMR000114985Oprea1_477702MLS000548103CHEMBL1383888HMS2366N16STL175910AKOS001414531AKOS016903610diethyl 1-[2-(5-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]triazole-4,5-dicarboxylate
이름 더 보기
AK-968/41171431Z275130958438228-01-4
데이터베이스 식별자
- CAS
438228-01-4- ChEMBL
CHEMBL1383888
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 116 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 922
관련 반응
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