2-Pyridinesulfonamide, N-(3-(1-(5,6-dihydro-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-2H-pyran-3-yl)propyl)phenyl)-5-(trifluoromethyl)-
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기본 정보
- CAS
174484-81-2- 표준 SMILES
CCCC1(CCc2ccccc2)CC(O)=C(C(CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1- InChIKey
SUJUHGSWHZTSEU-UHFFFAOYSA-N- 분자식
- C31H33F3N2O5S
- 평균 분자량
- 602.7 g/mol
- 단동위원소 질량
- 602.20622782
이름 및 식별자
- 우선 이름
- 2-Pyridinesulfonamide, N-(3-(1-(5,6-dihydro-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-2H-pyran-3-yl)propyl)phenyl)-5-(trifluoromethyl)-
- IUPAC
- N-[3-[1-[4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
- 영어명
- N-[3-[1-(2-hydroxy-4-oxo-6-phenethyl-6-propyl-5H-pyran-3-yl)propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
- 분자식
- C31H33F3N2O5S
- 분자량
- 602.67
이름 및 동의어
174484-81-22-Pyridinesulfonamide, N-(3-(1-(5,6-dihydro-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-2H-pyran-3-yl)propyl)phenyl)-5-(trifluoromethyl)-SUJUHGSWHZTSEU-UHFFFAOYSA-N2-Pyridinesulfonamide, N-[3-[1-[5,6-dihydro-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-2H-pyran-3-yl]propyl]phenyl]-5-(trifluoromethyl)-n-(3-{1-[6-hydroxy-4-oxo-2-(2-phenylethyl)-2-propyl-3,4-dihydro-2h-pyran-5-yl]propyl}phenyl)-5-(trifluoromethyl)pyridine-2-sulfonamideSCHEMBL3688134SCHEMBL5414762DTXSID00938516NZPXPXAGXYTROM-UHFFFAOYSA-NSYB81915DB-018038N-[3-[1-(4-hydroxy-6-oxo-2-phenethyl-2-propyl-3H-pyran-5-yl)propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
이름 더 보기
Aids059126Aids-059126N-[3-[1-(2-hydroxy-4-oxo-6-phenethyl-6-propyl-5H-pyran-3-yl)propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
물성
구조 계산 물성보충 중
- XLogP
- 7
- 극성 표면적
- 114 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 1,050
물리화학적 성질
- 끓는 점
- 712.284 · 712.284±70.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.313 · 1.313±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 4.5 · 4.500±1.00(predicted)
관련 반응
0건
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