Benzyl 4-({2-[(tert-butoxycarbonyl)amino]ethyl}[(4-chlorophenyl)methyl]carbamoyl)piperazine-1-carboxylate

HCID 53416583

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

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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