methyl 4-[2-chloro-4-fluoro-5-(4-difluoromethyl-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)phenoxy]-phenylcarboxylate
기본 정보
- 표준 SMILES
COC(=O)c1ccc(Oc2cc(-n3nc(C)n(C(F)F)c3=O)c(F)cc2Cl)cc1- InChIKey
BXKMMTUADVTVKV-UHFFFAOYSA-N- 분자식
- C18H13ClF3N3O4
- 평균 분자량
- 427.8 g/mol
이름 및 식별자
- 우선 이름
- methyl 4-[2-chloro-4-fluoro-5-(4-difluoromethyl-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)phenoxy]-phenylcarboxylate
- IUPAC
- methyl 4-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenoxy]benzoate
이름 및 동의어
SCHEMBL9631559methyl 4-[2-chloro-4-fluoro-5-(4-difluoromethyl-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4 -triazol-1-yl)phenoxy]-phenylcarboxylatemethyl 4-[2-chloro-4-fluoro-5-(4-difluoromethyl-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)phenoxy]-phenylcarboxylate
데이터베이스 식별자
- PubChem CID
- 19912204
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 71.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 660
관련 반응
2건
화합물 노트
불러오는 중…