기본 정보
- 표준 SMILES
O=C(NCC(F)(F)F)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1- InChIKey
BLJGBULKBZJROO-UHFFFAOYSA-N- 분자식
- C19H12Cl2F6N2O2
- 평균 분자량
- 485.2 g/mol
- 단동위원소 질량
- 484.018002
이름 및 식별자
- 우선 이름
- 4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]-N-(2,2,2-trifluoroethyl)benzoic acid amide
- IUPAC
- 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
이름 및 동의어
4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]-N-(2,2,2-trifluoroethyl)benzoic acid amideSCHEMBL7379054-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]-N-(2,2,2-trifluoro ethyl) benzoic acid amide4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]-N-(2,2,2-trifluoro ethyl)benzoic acid amide4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]-n-(2,2,2-trifluoroethyl) benzoic acid amide4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazole-3-yl]-N-(2,2,2-trifluoro ethyl)benzoic acid amide
데이터베이스 식별자
- PubChem CID
- 11340696
물성
구조 계산 물성
- XLogP
- 5.9
- 극성 표면적
- 50.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 684
관련 반응
6건
화합물 노트
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