기본 정보
- CAS
439121-31-0- 표준 SMILES
CCn1c(COc2ccc(=O)n(-c3ccccc3)n2)nnc1SCc1ccccc1C- InChIKey
LKMQLOLRJKOIFD-UHFFFAOYSA-N- 분자식
- C23H23N5O2S
- 평균 분자량
- 433.5 g/mol
- 단동위원소 질량
- 433.15724617
이름 및 식별자
- 우선 이름
- 6-({4-ethyl-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methoxy)-2-phenyl-3(2H)-pyridazinone
- IUPAC
- 6-[[4-ethyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methoxy]-2-phenylpyridazin-3-one
- 영어명
- 6-((4-ETHYL-5-[(2-METHYLBENZYL)SULFANYL]-4H-1,2,4-TRIAZOL-3-YL)METHOXY)-2-PHENYL-3(2H)-PYRIDAZINONE
- 분자식
- C23H23N5O2S
- 분자량
- 433.53
이름 및 동의어
439121-31-06-({4-ethyl-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methoxy)-2-phenyl-3(2H)-pyridazinone6-[(4-ethyl-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methoxy]-2-phenyl-2,3-dihydropyridazin-3-one6-[[4-ethyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methoxy]-2-phenylpyridazin-3-oneMLS000546916Oprea1_551078CHEMBL1524200HMS2410O04AKOS005104117SMR0001801149R-10036-((4-Ethyl-5-((2-methylbenzyl)thio)-4H-1,2,4-triazol-3-yl)methoxy)-2-phenylpyridazin-3(2H)-one
이름 더 보기
6-((4-ETHYL-5-[(2-METHYLBENZYL)SULFANYL]-4H-1,2,4-TRIAZOL-3-YL)METHOXY)-2-PHENYL-3(2H)-PYRIDAZINONE3(2H)-Pyridazinone, 6-[[4-ethyl-5-[[(2-methylphenyl)methyl]thio]-4H-1,2,4-triazol-3-yl]methoxy]-2-phenyl-
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 97.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 666
물리화학적 성질
- 끓는 점
- 628.2 · 628.2±65.0 °C(Predicted)
- 밀도
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 0.78 · 0.78±0.10(Predicted)
화학 및 산업
공급사3 곳
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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