(E)-tert-Butyl 2-(6-(2-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate
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기본 정보
- 표준 SMILES
CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1C=CC1CC(CC(=O)OC(C)(C)C)OC(C)(C)O1- InChIKey
WIFPCEOJTKZGSA-UHFFFAOYSA-N- 분자식
- C29H40FN3O6S
- 평균 분자량
- 577.7 g/mol
- 단동위원소 질량
- 577.26218534
이름 및 식별자
- 우선 이름
- (E)-tert-Butyl 2-(6-(2-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate
- IUPAC
- tert-butyl 2-[6-[2-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
이름 및 동의어
tert-Butyl 6-[(1E)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetate(E)-tert-Butyl 2-(6-(2-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate(E)-tert-Butyl 2-(6-(2-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfon-amdo)pyrimidin-5-yl)vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetateSCHEMBL2050594SCHEMBL2050597SB60487
데이터베이스 식별자
- PubChem CID
- 53395082
물성
구조 계산 물성보충 중
- XLogP
- 4.5
- 극성 표면적
- 116 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 985
관련 반응
1건
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