기본 정보
- CAS
1097834-07-5- 표준 SMILES
CC(C)(C)OC(=O)NCCN(Cc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)OCc2ccccc2)CC1- InChIKey
IRLZMYJDCXCLEQ-UHFFFAOYSA-N- 분자식
- C27H35ClN4O5
- 평균 분자량
- 531 g/mol
- 단동위원소 질량
- 530.2295979
이름 및 식별자
- 우선 이름
- Benzyl 4-({2-[(tert-butoxycarbonyl)amino]ethyl}[(4-chlorophenyl)methyl]carbamoyl)piperazine-1-carboxylate
- IUPAC
- benzyl 4-[(4-chlorophenyl)methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamoyl]piperazine-1-carboxylate
- 영어명
- benzyl 4-((2-(tert-butoxycarbonylamino)ethyl)(4-chlorobenzyl)carbamoyl)piperazine-1-carboxylate
- 분자식
- C27H35ClN4O5
- 분자량
- 531.04
이름 및 동의어
1097834-07-5Benzyl 4-({2-[(tert-butoxycarbonyl)amino]ethyl}[(4-chlorophenyl)methyl]carbamoyl)piperazine-1-carboxylate4-[[[(4-Chlorophenyl)methyl][2-[[(tert-butoxy)carbonyl]amino]ethyl]amino]carbonyl]-1-piperazinecarboxylicacid benzylesterbenzyl 4-[(4-chlorophenyl)methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamoyl]piperazine-1-carboxylatebenzyl 4-((2-(tert-butoxycarbonylamino)ethyl)(4-chlorobenzyl)carbamoyl)piperazine-1-carboxylate4-[[[(4-CHLOROPHENYL)METHYL][2-[[(TERT-BUTOXY)CARBONYL]AMINO]ETHYL]AMINO]CARBONYL]-1-PIPERAZINECARBOXYLIC ACID BENZYL ESTERSCHEMBL1724405DTXSID30697189IRLZMYJDCXCLEQ-UHFFFAOYSA-NDB-3160791-Piperazinecarboxylic acid, 4-[[[(4-chlorophenyl)methyl][2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]amino]carbonyl]-, phenylmethyl ester
데이터베이스 식별자
- CAS
1097834-07-5- PubChem CID
- 53416583
- DTXSID
DTXSID30697189
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 91.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 740
물리화학적 성질
- 끓는 점
- 688.7 · 688.7±55.0 °C(Predicted)
- 밀도
- 1.246 · 1.246
- 산도 계수 (pKa)
- 12.76 · 12.76±0.46(Predicted)
화학 및 산업
공급사1 곳
重庆卡兰医药有限公司[email protected]
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