6-(3-tert-Butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl)naphthalen-2-yl 1,1,1,2,3,3,3-heptafluoropropane-2-sulfonate

HCID 86693868

기본 정보

표준 SMILES
COc1c(-c2ccc3cc(OS(=O)(=O)C(F)(C(F)(F)F)C(F)(F)F)ccc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C
InChIKey
SOSAZNHIBORKRS-UHFFFAOYSA-N
분자식
C28H23F7N2O6S
평균 분자량
648.5 g/mol

이름 및 식별자

우선 이름
6-(3-tert-Butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl)naphthalen-2-yl 1,1,1,2,3,3,3-heptafluoropropane-2-sulfonate
IUPAC
[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl] 1,1,1,2,3,3,3-heptafluoropropane-2-sulfonate

이름 및 동의어

6-(3-tert-Butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl)naphthalen-2-yl 1,1,1,2,3,3,3-heptafluoropropane-2-sulfonateSCHEMBL151944986-(3-tert-Butyl-5-(2,4-dioxo -3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl)naphthalen-2-yl 1,1,1,2,3,3,3-heptafluoropropane-2-sulfonate6-(3-tert-butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1 (2H)-yl)-2-methoxyphenyl)naphthalen-2-yl 1,1,1,2,3,3,3-heptafluoropropane-2-sulfonate

데이터베이스 식별자

PubChem CID
86693868

물성

구조 계산 물성

XLogP
7.4
극성 표면적
110 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
13
회전 가능 결합 수
7
무거운 원자 수
44

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