3-amino-N-(2,4-difluorophenyl)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
기본 정보
- CAS
626227-43-8- 표준 SMILES
Nc1c(C(=O)Nc2ccc(F)cc2F)sc2nc3c(c(C(F)(F)F)c12)CCCCC3- InChIKey
UOCZDHVXTAUXTI-UHFFFAOYSA-N- 분자식
- C20H16F5N3OS
- 평균 분자량
- 441.4 g/mol
이름 및 식별자
- 우선 이름
- 3-amino-N-(2,4-difluorophenyl)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
- IUPAC
- 6-amino-N-(2,4-difluorophenyl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide
- 영어명
- 3-amino-N-(2,4-difluorophenyl)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
- 분자식
- C20H16F5N3OS
- 분자량
- 441.42
이름 및 동의어
626227-43-83-amino-N-(2,4-difluorophenyl)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide6-amino-N-(2,4-difluorophenyl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.5.0.0^{3,7}]tetradeca-1(9),2,5,7-tetraene-5-carboxamide6-Amino-N-(2,4-difluorophenyl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide3-amino-N-(2,4-difluorophenyl)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamidAM-807/41627224STL006976AKOS003599176SS-0300CS-03268135H-Cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide, 3-amino-N-(2,4-difluorophenyl)-6,7,8,9-tetrahydro-4-(trifluoromethyl)-
데이터베이스 식별자
- CAS
626227-43-8
물성
구조 계산 물성
- XLogP
- 6.1
- 극성 표면적
- 96.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 638
물리화학적 성질
- 끓는 점
- 481.9 · 481.9±45.0 °C(Predicted)
- 밀도
- 1.501 · 1.501±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.28 · 9.28±0.70(Predicted)
관련 반응
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