7-(4,4,4-Trifluoro-3-hydroxy-3-hydroxymethyl-1,1-dimethyl-butyl)-2,3-dihydrobenzofuran-5-sulfonic acid dimethylamide
기본 정보
- 표준 SMILES
CN(C)S(=O)(=O)c1cc2c(c(C(C)(C)CC(O)(CO)C(F)(F)F)c1)OCC2- InChIKey
SGKCIMJVDGPEDP-UHFFFAOYSA-N- 분자식
- C17H24F3NO5S
- 평균 분자량
- 411.4 g/mol
이름 및 식별자
- 우선 이름
- 7-(4,4,4-Trifluoro-3-hydroxy-3-hydroxymethyl-1,1-dimethyl-butyl)-2,3-dihydrobenzofuran-5-sulfonic acid dimethylamide
- IUPAC
- N,N-dimethyl-7-[5,5,5-trifluoro-4-hydroxy-4-(hydroxymethyl)-2-methylpentan-2-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
이름 및 동의어
7-(4,4,4-Trifluoro-3-hydroxy-3-hydroxymethyl-1,1-dimethyl-butyl)-2,3-dihydrobenzofuran-5-sulfonic acid dimethylamideSCHEMBL57811287-(4,4,4-trifluoro-3-hydroxy-3-hydroxymethyl-1,1-dimethylbutyl)-2,3-dihydrobenzofuran-5-sulfonic acid dimethylamide
데이터베이스 식별자
- PubChem CID
- 60026666
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 95.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 631
관련 반응
2건
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