기본 정보
- CAS
338956-23-3- 표준 SMILES
CC(O)(CS(=O)(=O)Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(C(F)(F)F)cc1- InChIKey
VUWJNJPFIRDGSD-UHFFFAOYSA-N- 분자식
- C19H17F6NO4S
- 평균 분자량
- 469.4 g/mol
- 단동위원소 질량
- 469.07824817
이름 및 식별자
- 우선 이름
- 2-hydroxy-2-methyl-3-{[3-(trifluoromethyl)benzyl]sulfonyl}-N-[4-(trifluoromethyl)phenyl]propanamide
- IUPAC
- 2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide
- 영어명
- 2-HYDROXY-2-METHYL-3-([3-(TRIFLUOROMETHYL)BENZYL]SULFONYL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
- 분자식
- C19H17F6NO4S
- 분자량
- 469.4
이름 및 동의어
338956-23-32-hydroxy-2-methyl-3-{[3-(trifluoromethyl)benzyl]sulfonyl}-N-[4-(trifluoromethyl)phenyl]propanamide2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]-3-{[3-(trifluoromethyl)phenyl]methanesulfonyl}propanamide2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide2-Hydroxy-2-methyl-3-((3-(trifluoromethyl)benzyl)sulfonyl)-N-(4-(trifluoromethyl)phenyl)propanamideAKOS0050947535J-602S2-HYDROXY-2-METHYL-3-([3-(TRIFLUOROMETHYL)BENZYL]SULFONYL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEPropanamide, 2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]-3-[[[3-(trifluoromethyl)phenyl]methyl]sulfonyl]-
데이터베이스 식별자
- CAS
338956-23-3- PubChem CID
- 3796472
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 91.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 725
물리화학적 성질
- 끓는 점
- 612.5 · 612.5±55.0 °C(Predicted)
- 밀도
- 1.474 · 1.474±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.63 · 11.63±0.29(Predicted)
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