5H-Cyclohepta[b]pyridin-5-amine, 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-, (5S,6S,9R)-
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기본 정보
- CAS
1289024-42-5- 표준 SMILES
CC(C)[Si](O[C@@H]1CC[C@@H](c2cccc(F)c2F)[C@H](N)c2cccnc21)(C(C)C)C(C)C- InChIKey
SNGLNEOTYPIRQO-KWOQKUFVSA-N- 분자식
- C25H36F2N2OSi
- 평균 분자량
- 446.6 g/mol
이름 및 식별자
- 우선 이름
- 5H-Cyclohepta[b]pyridin-5-amine, 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-, (5S,6S,9R)-
- IUPAC
- (5S,6S,9R)-6-(2,3-difluorophenyl)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-amine
- 영어명
- (5S,6S,9R)-6-(2,3-difluorophenyl)-9-((triisopropylsilyl)oxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-amine
- 분자식
- C25H36F2N2OSi
- 분자량
- 446.65
이름 및 동의어
1289024-42-55H-Cyclohepta[b]pyridin-5-amine, 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-, (5S,6S,9R)-(5S,6S,9R)-6-(2,3-difluorophenyl)-9-((triisopropylsilyl)oxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-amineB4ST6XK8MHSCHEMBL1670266SNGLNEOTYPIRQO-KWOQKUFVSA-N(5S,6S,9R)-6-(2,3-difluorophenyl)-9-(triisopropylsilyloxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-amine(5S,6S,9R)-6-(2,3-Difluorophenyl)-6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-5H-cyclohepta[b]pyridin-5-amine(5S,6S,9R)-6-(2,3-difluorophenyl)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-amine(5S6S,9R)-6-(2,3-difluorophenyl)-9-(triisopropylsilyloxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-amine6-(2,3-Difluorophenyl)-6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-5H-cyclohepta[b]pyridin-5-amine, (5S,6S,9R)-EOS-62203
이름 더 보기
EOS-60562Rimegepant Impurity 5Remeclipam impurities LZ101281(5S,6S,9R)-6- (2,3-difluorophenyl)-9- ((triisopropylsilyl oxy)-6.7.8.9-tetrahydro-5H-cvclohepta[blpyridin-5-amine
물성
구조 계산 물성보충 중
- 극성 표면적
- 48.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 554
물리화학적 성질
- 끓는 점
- 472.3 · 472.3±45.0 °C(Predicted)
- 밀도
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.1 · 8.10±0.60(Predicted)
- InChIKey
- SNGLNEOTYPIRQO-KWOQKUFVSA-N
- SMILES
- C12[C@H](O[Si](C(C)C)(C(C)C)C(C)C)CC[C@@H](C3=CC=CC(F)=C3F)[C@H](N)C1=CC=CN=2
화학 및 산업
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