{2-methyl-5-[4-(methylsulfonyl)phenyl]-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methanol
기본 정보
- CAS
338749-54-5- 표준 SMILES
Cc1c(CO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(C(F)(F)F)c1- InChIKey
MSRHGEZGIVBDLN-UHFFFAOYSA-N- 분자식
- C20H18F3NO3S
- 평균 분자량
- 409.4 g/mol
- 단동위원소 질량
- 409.0959491
이름 및 식별자
- 우선 이름
- {2-methyl-5-[4-(methylsulfonyl)phenyl]-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methanol
- IUPAC
- [2-methyl-5-(4-methylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]methanol
이름 및 동의어
338749-54-5{2-methyl-5-[4-(methylsulfonyl)phenyl]-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methanol[5-(4-methanesulfonylphenyl)-2-methyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]methanol(2-Methyl-5-(4-(methylsulfonyl)phenyl)-1-(3-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methanolDTXSID901123173AKOS0050919824N-326S[2-methyl-5-(4-methylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]methanol2-Methyl-5-[4-(methylsulfonyl)phenyl]-1-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-methanol{5-[4-(Methanesulfonyl)phenyl]-2-methyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methanol
데이터베이스 식별자
- CAS
338749-54-5- PubChem CID
- 1477167
- DTXSID
DTXSID901123173
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 67.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 626
관련 반응
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