기본 정보
- CAS
317822-47-2- 표준 SMILES
CN(c1ncc(C(F)(F)F)cc1Cl)N1C(=O)C2ON=C(C3(C)NC(=O)N(c4ccc(Cl)cc4Cl)N3)C2C1=O- InChIKey
UOIZHPBMVCRLQB-UHFFFAOYSA-N- 분자식
- C21H15Cl3F3N7O4
- 평균 분자량
- 592.7 g/mol
이름 및 식별자
- 우선 이름
- 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-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
- IUPAC
- 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-[1-(2,4-dichlorophenyl)-3-methyl-5-oxo-1,2,4-triazolidin-3-yl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
- 영어명
- 5-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-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
- C21H15Cl3F3N7O4
- 분자량
- 592.74
이름 및 동의어
317822-47-25-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-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-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-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-dione5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3-[1-(2,4-dichlorophenyl)-3-methyl-5-oxo-1,2,4-triazolidin-3-yl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dioneSCHEMBL14050061UOIZHPBMVCRLQB-UHFFFAOYSA-NAKOS0050852912J-9094H-Pyrrolo[3,4-d]isoxazole-4,6(5H)-dione, 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylamino]-3-[1-(2,4-dichlorophenyl)-3-methyl-5-oxo-1,2,4-triazolidin-3-yl]-3a,6a-dihydro-
데이터베이스 식별자
- CAS
317822-47-2
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 119 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 1,050
물리화학적 성질
- 밀도
- 1.83 · 1.83±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.37 · 10.37±0.40(Predicted)
화학 및 산업
공급사2 곳
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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