1,1-Dimethylethyl {(1S)-2-[4-(bromoacetyl)phenyl]-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]ethyl}carbamate
기본 정보
- CAS
869567-97-5- 표준 SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C(=O)CBr)cc1)CN1C(=O)c2ccccc2C1=O- InChIKey
WIDHOLNQGNPVKS-KRWDZBQOSA-N- 분자식
- C24H25BrN2O5
- 평균 분자량
- 501.4 g/mol
이름 및 식별자
- 우선 이름
- 1,1-Dimethylethyl {(1S)-2-[4-(bromoacetyl)phenyl]-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]ethyl}carbamate
- IUPAC
- tert-butyl N-[(2S)-1-[4-(2-bromoacetyl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate
- 영어명
- tert-Butyl (2-[(3-iodopyridin-2-yl)thio]ethyl)carbamate
- 분자식
- C24H25BrN2O5
- 분자량
- 501.37
이름 및 동의어
1,1-Dimethylethyl {(1S)-2-[4-(bromoacetyl)phenyl]-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]ethyl}carbamate1,1-dimethylethyl {(1S)-2-{4-(bromoacetyl)phenyl]-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]ethyl}carbamateSCHEMBL13162711WIDHOLNQGNPVKS-KRWDZBQOSA-Ndimethylethyl {(1S)-2-[4-(bromoacetyl)phenyl]-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]ethyl}carbamate[(1S)-2-[4-(broMoacetyl)phenyl]-1-[(13-dioxo-2H-isoindol-2 -yl)Methyl]ethyl]-tert-Butyl (2-[(3-iodopyridin-2-yl)thio]ethyl)carbamateTERT-BUTYL (2-[(3-IODOPYRIDIN-2-YL)THIO]ETHYL)CARBAMATE ISO 9001：2015 REACHCarbamic acid, N-[(1S)-1-[[4-(2-bromoacetyl)phenyl]methyl]-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl]-, 1,1-dimethylethyl ester
데이터베이스 식별자
- CAS
869567-97-5
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 92.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 702
물리화학적 성질
- 끓는 점
- 646.5 · 646.5±55.0 °C(Predicted)
- 밀도
- 1.403 · 1.403±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.73 · 11.73±0.46(Predicted)
관련 반응
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