기본 정보
- CAS
371775-73-4- 표준 SMILES
CC(C)c1nc(NS(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1- InChIKey
POGQSTILWBTFOJ-SVKRATOZSA-N- 분자식
- C28H38FN3O6S
- 평균 분자량
- 563.7 g/mol
- 단동위원소 질량
- 563.24653528
이름 및 식별자
- 우선 이름
- tert-Butyl-7-[4-(4-fluorophenyl)-6-isopropyl-2-mesylaminopyrimidin-5-yl]-(3R,5S)-isopropylidine-(E)-6-heptenoate
- IUPAC
- tert-butyl 2-[(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2-(methanesulfonamido)-6-propan-2-ylpyrimidin-5-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
- 영어명
- tert-Butyl-7-[4-(4-fluorophenyl)-6-isopropyl-2-mesylaminopyrimidin-5-yl]-(3R,5S)-isopropylidine-(E)-6-heptenoate
- 분자식
- C28H38FN3O6S
- 분자량
- 563.68
이름 및 동의어
371775-73-4tert-Butyl-7-[4-(4-fluorophenyl)-6-isopropyl-2-mesylaminopyrimidin-5-yl]-(3R,5S)-isopropylidine-(E)-6-heptenoatetert-Butyl 2-((4R,6S)-6-((E)-2-(4-(4-fluorophenyl)-6-isopropyl-2-(methylsulfonamido)pyrimidin-5-yl)vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetateTert-butyl 2-[(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2-(methanesulfonamido)-6-propan-2-ylpyrimidin-5-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate(4R,6S)-6-[(1E)-2-[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetic Acid 1,1-Dimethylethyl Ester;tert-Butyl-7-[4-(4-fluorophenyl)-6-isopropyl-2-mesylaminopyrimidin-5-yl]-(3R,5S)-isopropylidine-(E)-SCHEMBL17073105(4R,6S)-6-[(1E)-2-[4-(4-Fluorophenyl)-6-(1-Methylethyl)-2-[(Methylsulfonyl)aMino]-5-pyriMidinyl]ethenyl]-2,2-diMethyl-1,3-dioxane-4-acetic Acid 1,1-DiMethylethyl Ester1,3-Dioxane-4-acetic acid, 6-[(1E)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6S)-
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 125 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 953
물리화학적 성질
- 녹는점
- 96 · 96-98°C
- 저장 조건
- Refrigerator
- 용해도
- 디클로로메탄, 에틸아세테이트, 메탄올에 용해됨
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
화학적 성질
Brown Solid
화학 및 산업
공급사5 곳
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