2-(6-(tert-Butyl)-8-fluoro-1-oxophthalazin-2(1H)-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl acetate
기본 정보
- 표준 SMILES
CC(=O)OCc1c(B2OC(C)(C)C(C)(C)O2)cccc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O- InChIKey
GGSYPPKCJLBSRP-UHFFFAOYSA-N- 분자식
- C27H32BFN2O5
- 평균 분자량
- 494.4 g/mol
이름 및 식별자
- 우선 이름
- 2-(6-(tert-Butyl)-8-fluoro-1-oxophthalazin-2(1H)-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl acetate
- IUPAC
- [2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate
이름 및 동의어
1242156-76-82-(6-(tert-Butyl)-8-fluoro-1-oxophthalazin-2(1H)-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl acetateMFCD26403976[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetateacetic acid 2-(6-tert-butyl-8-fluoro-1-oxo-1h-phthalazin-2-yl)-6-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzyl ester[2-(6-tert-Butyl-8-fluoro-1-oxo-phthalazin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate2-(6-(tert-butyl)-8-fluoro-1-oxophthalazin-2(1H)-yl)-6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)GGSYPPKCJLBSRP-UHFFFAOYSA-NSCHEMBL609595C27H32BFN2O5AKOS025213208SB21812
이름 더 보기
CS-00550362-(6-(tert-Butyl)-8-fluoro-1-oxophthalazin-2(1H)-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzylacetate2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl acetate2-(Acetoxymethyl)-3-(6-(tert-butyl)-8-fluoro-1-oxophthalazin-2(1H)-yl)benzenboronic acid pinacol esteracetic acid 2-(6-tert-butyl-8-fluoro-1-oxo-1H-phthalazin-2-yl)-6-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzyl esteracetic acid 2-(6-tert-butyl-8-fluoro-1-oxo-1H-phthalazin-2-yl)-6-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)-benzyl ester
데이터베이스 식별자
- PubChem CID
- 59473769
물성
구조 계산 물성
- 극성 표면적
- 77.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 872
관련 반응
85건
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