기본 정보
- CAS
340817-17-6- 표준 SMILES
COc1ccccc1-c1cc(-c2ccccc2)nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c1C#N- InChIKey
QUCORYMEPVOTDL-UHFFFAOYSA-N- 분자식
- C28H20F3N3O2S
- 평균 분자량
- 519.5 g/mol
이름 및 식별자
- 우선 이름
- 2-{[3-cyano-4-(2-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
- IUPAC
- 2-[[3-cyano-4-(2-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
- 영어명
- 2-{[3-cyano-4-(2-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
- 분자식
- C28H20F3N3O2S
- 분자량
- 519.54
이름 및 동의어
2-{[3-cyano-4-(2-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamideAK-777/11500067STK526815AKOS0036798522-[3-cyano-4-(2-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamideST510622232-((3-cyano-4-(2-methoxyphenyl)-6-phenylpyridin-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide2-[3-cyano-4-(2-methoxyphenyl)-6-phenyl(2-pyridylthio)]-N-[3-(trifluoromethyl) phenyl]acetamide2-{[3-cyano-4-(2-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamideAcetamide, 2-[[3-cyano-4-(2-methoxyphenyl)-6-phenyl-2-pyridinyl]thio]-N-[3-(trifluoromethyl)phenyl]-
데이터베이스 식별자
- CAS
340817-17-6
물성
구조 계산 물성
- XLogP
- 6.5
- 극성 표면적
- 100 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 797
물리화학적 성질
- 끓는 점
- 660.7 · 660.7±55.0 °C(Predicted)
- 밀도
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.45 · 12.45±0.70(Predicted)
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