기본 정보
- CAS
830346-49-1- 표준 SMILES
Cc1c(Br)c(=O)n(C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F- InChIKey
BYAMYPDENAIRDK-FQEVSTJZSA-N- 분자식
- C26H26BrF4N3O4
- 평균 분자량
- 600.4 g/mol
- 단동위원소 질량
- 599.10428129
이름 및 식별자
- 우선 이름
- 1,1-Dimethylethyl N-[(1R)-2-[5-bromo-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]carbamate
- IUPAC
- tert-butyl N-[(1R)-2-[5-bromo-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]carbamate
- 영어명
- Carbamic acid, N-[(1R)-2-[5-bromo-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]-, 1,1-dimethylethyl ester
- 분자식
- C26H26BrF4N3O4
- 분자량
- 600.4
이름 및 동의어
830346-49-11,1-Dimethylethyl N-[(1R)-2-[5-bromo-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]carbamate1,1-Dimethylethyl N-((1R)-2-(5-bromo-3-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl)-1-phenylethyl)carbamateRefChem:213946LN5M2HZ59V(R)-tert-Butyl (2-(5-bromo-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)-1-phenylethyl)carbamateTERT-BUTYL (R)-(2-(5-BROMO-3-(2-FLUORO-6-(TRIFLUOROMETHYL)BENZYL)-4-METHYL-2,6-DIOXO-3,6-DIHYDROPYRIMIDIN-1(2H)-YL)-1-PHENYLETHYL)CARBAMATE5-bromo-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methyl-3-[2(R)-tert-butoxycarbonylamino-2-phenylethyl]-pyrimidine-2,4(1H,3H)-dioneCarbamic acid, N-[(1R)-2-[5-bromo-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]-, 1,1-dimethylethyl estertert-butyl N-[(1R)-2-(5-bromo-3-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-4-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl)-1-phenylethyl]carbamate
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 79 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 930
물리화학적 성질
- 밀도
- 1.446 · 1.446±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C Freezer, Under inert atmosphere
- 용해도
- 메탄올, 에틸아세테이트, 디클로로메탄에 용해됨
- 산도 계수 (pKa)
- 11.5 · 11.50±0.46(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H361
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