기본 정보
- CAS
691868-85-6- 표준 SMILES
COc1cc2nc(SCc3cc(C)ccc3C)n(Cc3cccc(C(F)(F)F)c3)c(=N)c2cc1OC- InChIKey
YTBVMUGBWAZPOD-UHFFFAOYSA-N- 분자식
- C27H26F3N3O2S
- 평균 분자량
- 513.6 g/mol
이름 및 식별자
- 우선 이름
- 2-[(2,5-dimethylbenzyl)sulfanyl]-6,7-dimethoxy-3-[3-(trifluoromethyl)benzyl]-4(3H)-quinazolinimine
- IUPAC
- 2-[(2,5-dimethylphenyl)methylsulfanyl]-6,7-dimethoxy-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine
- 영어명
- 2-[(2,5-Dimethylbenzyl)sulfanyl]-6,7-dimethoxy-3-[3-(trifluoromethyl)benzyl]-4(3H)-quinazolinimine
- 분자식
- C27H26F3N3O2S
- 분자량
- 513.57
이름 및 동의어
691868-85-62-[(2,5-dimethylbenzyl)sulfanyl]-6,7-dimethoxy-3-[3-(trifluoromethyl)benzyl]-4(3H)-quinazolinimine2-[(2,5-dimethylphenyl)methylsulfanyl]-6,7-dimethoxy-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-6,7-dimethoxy-3-{[3-(trifluoromethyl)phenyl]methyl}-3,4-dihydroquinazolin-4-imineAKOS00507910211R-02472-((2,5-Dimethylbenzyl)thio)-6,7-dimethoxy-3-(3-(trifluoromethyl)benzyl)quinazolin-4(3H)-imine4(3H)-Quinazolinimine, 2-[[(2,5-dimethylphenyl)methyl]thio]-6,7-dimethoxy-3-[[3-(trifluoromethyl)phenyl]methyl]-
데이터베이스 식별자
- CAS
691868-85-6
물성
구조 계산 물성
- XLogP
- 6.5
- 극성 표면적
- 83.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 795
화학 및 산업
공급사3 곳
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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