기본 정보
- CAS
939016-96-3- 표준 SMILES
C[Si](C)(C)CCOCN1C(=O)[C@]2(Cc3ccc(N)cc3C2)c2cccnc21- InChIKey
AINGFPVNDGLOCX-NRFANRHFSA-N- 분자식
- C21H27N3O2Si
- 평균 분자량
- 381.5 g/mol
- 단동위원소 질량
- 381.18725365
이름 및 식별자
- 우선 이름
- (S)-5-Amino-1'-((2-(trimethylsilyl)ethoxy)methyl)-1,3-dihydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-2'(1'h)-one
- IUPAC
- (2S)-5-amino-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-2'-one
- 영어명
- (S)-5-amino-1-((2-(trimethylsilyl)ethoxy)methyl)-1,3-dihydrospiro[indene-2,3-pyrrolo[2,3-b]pyridin]-2(1H)-one(WX145563)
- 분자식
- C21H27N3O2Si
- 분자량
- 381.54
이름 및 동의어
939016-96-3(S)-5-Amino-1'-((2-(trimethylsilyl)ethoxy)methyl)-1,3-dihydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-2'(1'h)-one(2S)-5-amino-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-2'-oneC21H27N3O2Si(2S)-5-amino-1'-{[2-(trimethylsilyl)ethoxy]methyl}-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-2'-one(S)-5-Amino-1'-{[2-(trimethylsilyl)ethoxy]methyl}-1,3-dihydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-oneSCHEMBL1393836AINGFPVNDGLOCX-NRFANRHFSA-NMFCD31803686AKOS037647842AS-74998W15022
이름 더 보기
(S)-5-amino-1-((2-(trimethylsilyl)ethoxy)methyl)-1,3-dihydrospiro[indene-2,3-pyrrolo[2,3-b]pyridin]-2(1H)-one(S)-5-amino-1-((2-(trimethylsilyl)ethoxy)methyl)-1,3-dihydrospiro[indene-2,3-pyrrolo[2,3-b]pyridin]-2(1H)-one(WX145563)Spiro[2H-indene-2,3'-[3H]pyrrolo[2,3-b]pyridin]-2'(1'H)-one, 5-amino-1,3-dihydro-1'-[[2-(trimethylsilyl)ethoxy]methyl]-, (2S)-
(2S)-5-amino-1'-(2-trimethylsilylethoxymethyl)spiro[indane-2,3'-pyrrolo[2,3-b]pyridine]-2'-one
물성
구조 계산 물성
- 극성 표면적
- 68.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 566
물리화학적 성질
- 끓는 점
- 564.6 · 564.6±50.0 °C(Predicted)
- 밀도
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.94 · 4.94±0.20(Predicted)
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