기본 정보
- CAS
439112-32-0- 표준 SMILES
CCn1c(COc2ccc(=O)n(-c3ccccc3)n2)nnc1SCC(=O)Nc1ccccc1- InChIKey
DCJQOCSQOPMQRH-UHFFFAOYSA-N- 분자식
- C23H22N6O3S
- 평균 분자량
- 462.5 g/mol
- 단동위원소 질량
- 462.14740976
이름 및 식별자
- 우선 이름
- 2-[(4-ethyl-5-{[(6-oxo-1-phenyl-1,6-dihydro-3-pyridazinyl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
- IUPAC
- 2-[[4-ethyl-5-[(6-oxo-1-phenylpyridazin-3-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
- 영어명
- 2-[(4-ETHYL-5-([(6-OXO-1-PHENYL-1,6-DIHYDRO-3-PYRIDAZINYL)OXY]METHYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-PHENYLACETAMIDE
- 분자식
- C23H22N6O3S
- 분자량
- 462.52
이름 및 동의어
439112-32-02-[(4-ethyl-5-{[(6-oxo-1-phenyl-1,6-dihydro-3-pyridazinyl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide2-[(4-ethyl-5-{[(6-oxo-1-phenyl-1,6-dihydropyridazin-3-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide2-[[4-ethyl-5-[(6-oxo-1-phenylpyridazin-3-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamideOprea1_455482AKOS0051022478R-10202-((4-Ethyl-5-(((6-oxo-1-phenyl-1,6-dihydropyridazin-3-yl)oxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamideAcetamide, 2-[[5-[[(1,6-dihydro-6-oxo-1-phenyl-3-pyridazinyl)oxy]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]-N-phenyl-2-[(4-ETHYL-5-([(6-OXO-1-PHENYL-1,6-DIHYDRO-3-PYRIDAZINYL)OXY]METHYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-PHENYLACETAMIDE
데이터베이스 식별자
- CAS
439112-32-0- PubChem CID
- 3299976
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 127 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 736
물리화학적 성질
- 밀도
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.99 · 12.99±0.70(Predicted)
화학 및 산업
공급사2 곳
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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