5-[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3-[1-(2,4-dichlorophenyl)-3-methyl-5-oxo-1,2,4-triazolidin-3-yl]-3a,6a-dihydro-4H-pyrrolo[3,4-d]isoxazole-4,6(5H)-dione
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기본 정보
- CAS
317822-54-1- 표준 SMILES
CC1(C2=NOC3C(=O)N(CCNc4ncc(C(F)(F)F)cc4Cl)C(=O)C23)NC(=O)N(c2ccc(Cl)cc2Cl)N1- InChIKey
PBCOIJSATMQQKO-UHFFFAOYSA-N- 분자식
- C22H17Cl3F3N7O4
- 평균 분자량
- 606.776 g/mol
- 단동위원소 질량
- 605.03596972
이름 및 식별자
- 우선 이름
- 5-[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3-[1-(2,4-dichlorophenyl)-3-methyl-5-oxo-1,2,4-triazolidin-3-yl]-3a,6a-dihydro-4H-pyrrolo[3,4-d]isoxazole-4,6(5H)-dione
- 영어명
- 5-(2-([3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino)ethyl)-3-[1-(2,4-dichlorophenyl)-3-methyl-5-oxo-1,2,4-triazolan-3-yl]-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
- 분자식
- C22H17Cl3F3N7O4
- 분자량
- 606.77
이름 및 동의어
5-(2-([3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino)ethyl)-3-[1-(2,4-dichlorophenyl)-3-methyl-5-oxo-1,2,4-triazolan-3-yl]-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione5-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-3-[1-(2,4-dichlorophenyl)-3-methyl-5-oxo-1,2,4-triazolidin-3-yl]-3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2]oxazole-4,6-dione4H-Pyrrolo[3,4-d]isoxazole-4,6(5H)-dione, 5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3-[1-(2,4-dichlorophenyl)-3-methyl-5-oxo-1,2,4-triazolidin-3-yl]-3a,6a-dihydro-
데이터베이스 식별자
- CAS
317822-54-1- PubChem CID
- 3768364
- DTXSID
DTXSID901098819
물성
물리화학적 성질
- 밀도
- 1.81 · 1.81±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.37 · 10.37±0.40(Predicted)
관련 반응
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