tert-Butyl (S)-(1-(3,6-dibromopyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)carbamate
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
1620056-47-4- 표준 SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1nc(Br)ccc1Br- InChIKey
XKLGEKSJSJYONN-AWEZNQCLSA-N- 분자식
- C18H18Br2F2N2O2
- 평균 분자량
- 492.2 g/mol
- 단동위원소 질량
- 489.97031
이름 및 식별자
- 우선 이름
- tert-Butyl (S)-(1-(3,6-dibromopyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)carbamate
- IUPAC
- tert-butyl N-[(1S)-1-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamate
- 영어명
- tert-Butyl (S)-(1-(3,6-dibromopyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)carbamate
- 분자식
- C18H18Br2F2N2O2
- 분자량
- 492.15
이름 및 동의어
1620056-47-4tert-Butyl (S)-(1-(3,6-dibromopyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)carbamatetert-butyl N-[(1S)-1-(3,6-dibromopyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamateSCHEMBL15886761SCHEMBL30707913XKLGEKSJSJYONN-AWEZNQCLSA-NAS-97641CS-0146970G82382F622535(S)-tert-butyl (1-(3,6-dibromopyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)carbamate(S)-tert-butyl 1-(3,6-dibromopyridin-2-yl)-2-(3,5-difluorophenyl)ethylcarbamate
이름 더 보기
tert-Butyl [(1S)-1-(3,6-dibromopyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamateN-[(1S)-1-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]-, 1,1-dimethylethyl esterCarbamic acid, N-[(1S)-1-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]-, 1,1-dimethylethyl esteCarbamic acid, N-[(1S)-1-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]-, 1,1-dimethylethyl ester
(S)-tert-butyl(1-(3,6-dibromopyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)carbamatetert-Butyl(S)-(1-(3,6-dibromopyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)carbamate
데이터베이스 식별자
- CAS
1620056-47-4- PubChem CID
- 90290190
물성
구조 계산 물성보충 중
- XLogP
- 5.3
- 극성 표면적
- 51.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 469
물리화학적 성질
- 끓는 점
- 499.1 · 499.1±45.0 °C(Predicted)
- 밀도
- 1.574 · 1.574±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.42 · 10.42±0.46(Predicted)
- InChI
- InChI=1S/C18H18Br2F2N2O2/c1-18(2,3)26-17(25)23-14(16-13(19)4-5-15(20)24-16)8-10-6-11(21)9-12(22)7-10/h4-7,9,14H,8H2,1-3H3,(H,23,25)/t14-/m0/s1
- InChIKey
- XKLGEKSJSJYONN-AWEZNQCLSA-N
- SMILES
- C(OC(C)(C)C)(=O)N[C@H](C1=NC(Br)=CC=C1Br)CC1=CC(F)=CC(F)=C1
화학 및 산업
응용 분야
개요Tert-Butyl (S)-(1-(3,6-dibromopyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)carbamate is a solid, it can be used to synthesize lenacapavir sodium.
용도tert-Butyl (S)-(1-(3,6-dibromopyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)carbamate is a pharmaceutical intermediate compound that can be used to prepare capsid inhibitors for the treatment of HIV.
관련 반응
3건
화합물 노트
불러오는 중…