3-(2-chlorophenyl)-1-methyl-5-[4-methyl-3-(5-trifluoromethylpyridine-2-yloxy)phenyl]-1H-1,2,4-triazole (HCID 21463643)

기본 정보

표준 SMILES: Cc1ccc(-c2nc(-c3ccccc3Cl)nn2C)cc1Oc1ccc(C(F)(F)F)cn1
InChIKey: SUUSXEYQRRCMLV-UHFFFAOYSA-N
분자식: C22H16ClF3N4O
평균 분자량: 444.8 g/mol

이름 및 식별자

우선 이름: 3-(2-chlorophenyl)-1-methyl-5-[4-methyl-3-(5-trifluoromethylpyridine-2-yloxy)phenyl]-1H-1,2,4-triazole
IUPAC: 2-[5-[5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]-2-methylphenoxy]-5-(trifluoromethyl)pyridine

이름 및 동의어

3-(2-chlorophenyl)-1-methyl-5-[4-methyl-3-(5-trifluoromethylpyridine-2-yloxy)phenyl]-1H-1,2,4-triazoleSCHEMBL83008333-(2-chlorophenyl)-1-methyl-5-[4-methyl-3-(5-trifluoromethylpyridine 2-yloxy)phenyl]-1H-1,2,4triazole

데이터베이스 식별자

PubChem CID: 21463643

물성

구조 계산 물성

XLogP: 6
극성 표면적: 52.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 7
회전 가능 결합 수: 4
무거운 원자 수: 31
형식 전하: 0
복잡도: 598

화합물 노트

불러오는 중…