기본 정보
- 표준 SMILES
COC(=O)C(C)Oc1cc(C)ccc1COc1ccc(-n2nc(C)n(C(F)F)c2=O)c(F)c1- InChIKey
JYWYTIJPYVCHQF-UHFFFAOYSA-N- 분자식
- C22H22F3N3O5
- 평균 분자량
- 465.4 g/mol
이름 및 식별자
- 우선 이름
- Methyl 2-[2-[4-(4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-on-1-yl)-3-fluorophenoxymethyl]-5-methylphen oxy]propionate
- IUPAC
- methyl 2-[2-[[4-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-3-fluorophenoxy]methyl]-5-methylphenoxy]propanoate
이름 및 동의어
Methyl 2-[2-[4-(4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-on-1-yl)-3-fluorophenoxymethyl]-5-methylphen oxy]propionateSCHEMBL7835123Methyl 2-[2-[4-(4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-on-1-yl)-3-fluorophenoxymethyl]-5-methylphenoxy]-propionateMethyl 2-[2-[4-(4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-on-1-yl)-3-fluorophenoxymethyl]-5-methylphenoxy]propionate
데이터베이스 식별자
- PubChem CID
- 22904744
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 80.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 740
관련 반응
5건
화합물 노트
불러오는 중…