3-(3,5-dimethylphenoxy)-7-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-4H-chromen-4-one
기본 정보
- CAS
957507-10-7- 표준 SMILES
Cc1cc(C)cc(Oc2coc3cc(OCC(O)Cn4nc(C)cc4C)ccc3c2=O)c1- InChIKey
KVJFFVGIOGPNGV-UHFFFAOYSA-N- 분자식
- C25H26N2O5
- 평균 분자량
- 434.5 g/mol
이름 및 식별자
- 우선 이름
- 3-(3,5-dimethylphenoxy)-7-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-4H-chromen-4-one
- IUPAC
- 3-(3,5-dimethylphenoxy)-7-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]chromen-4-one
- 영어명
- 3-(3,5-dimethylphenoxy)-7-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-4H-chromen-4-one
- 분자식
- C25H26N2O5
- 분자량
- 434.48434
이름 및 동의어
957507-10-73-(3,5-dimethylphenoxy)-7-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-4H-chromen-4-one3-(3,5-dimethylphenoxy)-7-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]chromen-4-oneF3316-03407-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-3-(3,5-dimethylphenoxy)-4H-chromen-4-one7-(3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy)-3-(3,5-dimethylphenoxy)-4H-chromen-4-oneSMSSF-0056122AKOS024482267AP-124/43383646Z16865182787-[3-(3,5-dimethyl-1-pyrazolyl)-2-hydroxypropoxy]-3-(3,5-xylyloxy)-4H-chromen-4-one
데이터베이스 식별자
- CAS
957507-10-7
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 82.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 675
관련 반응
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