기본 정보
- 표준 SMILES
CCOC(=O)C(C)(C)Cc1c(SC(C)(C)C)c2cc(O)ccc2n1Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1- InChIKey
DKSKXFFAZFTULZ-UHFFFAOYSA-N- 분자식
- C32H44BNO5S
- 평균 분자량
- 565.6 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 3-(3-(tert-butylthio)-5-hydroxy-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)-1H-indol-2-yl)-2,2-dimethylpropanoate
- IUPAC
- ethyl 3-[3-tert-butylsulfanyl-5-hydroxy-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]indol-2-yl]-2,2-dimethylpropanoate
이름 및 동의어
936351-51-8Ethyl 3-(3-(tert-butylthio)-5-hydroxy-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)-1H-indol-2-yl)-2,2-dimethylpropanoate1H-Indole-2-propanoic acid, 3-[(1,1-dimethylethyl)thio]-5-hydroxy-alpha,alpha-dimethyl-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-, ethyl esterSCHEMBL169316DKSKXFFAZFTULZ-UHFFFAOYSA-N1H-Indole-2-propanoic acid, 3-[(1,1-dimethylethyl)thio]-5-hydroxy-,-dimethyl-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-, ethyl ester3-{3-tert-butylsulfanyl-5-hydroxy-1-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzyl]-1H-indol-2-yl}-2,2-dimethyl-propionic acid ethyl esterEthyl 3-(3-(tert-butylthio)-5-hydroxy-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)-1H-indol-2-yl)-2,2-dimethylpropionate
데이터베이스 식별자
- PubChem CID
- 44474908
물성
구조 계산 물성
- 극성 표면적
- 95.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 865
관련 반응
2건
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