3,3-Dimethyl-4-(1-phenyl-1H-[1,2,4]triazole-3-carbonyl)-piperazine-1-carboxylic acid tert-butyl ester
기본 정보
- 표준 SMILES
CC(C)(C)OC(=O)N1CCN(C(=O)c2ncn(-c3ccccc3)n2)C(C)(C)C1- InChIKey
QBJUZUJUMWSMST-UHFFFAOYSA-N- 분자식
- C20H27N5O3
- 평균 분자량
- 385.5 g/mol
이름 및 식별자
- 우선 이름
- 3,3-Dimethyl-4-(1-phenyl-1H-[1,2,4]triazole-3-carbonyl)-piperazine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazine-1-carboxylate
이름 및 동의어
SCHEMBL15019781QBJUZUJUMWSMST-UHFFFAOYSA-NDB-3899981,1-Dimethylethyl 3,3-dimethyl-4-[(1-phenyl-1H-1,2,4-triazol-3-yl)carbonyl]-1-piperazinecarboxylate1443759-18-93,3-dimethyl-4-(1-phenyl-1H-[1,2,4]-triazole-3-carbonyl)-piperazine-1-carboxylic acid tert-butyl ester3,3-Dimethyl-4-(1-phenyl-1H-[1,2,4]triazole-3-carbonyl)-piperazine-1-carboxylic acid tert-butyl ester
데이터베이스 식별자
- PubChem CID
- 86688258
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 80.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 583
관련 반응
2건
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