기본 정보
- CAS
1239511-12-6- 표준 SMILES
Cc1[nH][nH]c(=O)c1C(c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)c1c(C)[nH][nH]c1=O- InChIKey
WVFMBFXAKDQVMF-UHFFFAOYSA-N- 분자식
- C22H20Cl2N4O3
- 평균 분자량
- 459.3 g/mol
이름 및 식별자
- 우선 이름
- 4-[[3-[(3,4-Dichlorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
- IUPAC
- 4-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
- 영어명
- 4-[{3-[(3,4-dichlorobenzyl)oxy]phenyl}(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-3-methyl-1H-pyrazol-5-ol
- 분자식
- C22H20Cl2N4O3
- 분자량
- 459.33
이름 및 동의어
4,4'-({3-[(3,4-dichlorobenzyl)oxy]phenyl}methanediyl)bis(3-methyl-1H-pyrazol-5-ol)SCHEMBL17453752STK101741AKOS0033837904-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-oneAH-487/416581204,4'-({3-[(3,4-dichlorobenzyl)oxy]phenyl}methylene)bis(3-methyl-1H-pyrazol-5-ol)4-[{3-[(3,4-dichlorobenzyl)oxy]phenyl}(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-3-methyl-1H-pyrazol-5-ol3H-Pyrazol-3-one, 4,4'-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylene]bis[1,2-dihydro-5-methyl-
데이터베이스 식별자
- CAS
1239511-12-6
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 91.5 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 760
물리화학적 성질
- 밀도
- 1.378 · 1.378±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.26 · 8.26±0.70(Predicted)
화학 및 산업
공급사2 곳
SPECS[email protected]
VITAS-BB—
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…