3-(2-chloro-6-fluorophenyl)-5-[4-chloro-3-(5-trifluoromethylpyridine-2-yloxy)phenyl]-1-methyl-1H-1,2,4-triazole (HCID 21463597)

기본 정보

표준 SMILES: Cn1nc(-c2c(F)cccc2Cl)nc1-c1ccc(Cl)c(Oc2ccc(C(F)(F)F)cn2)c1
InChIKey: PDJMODKYOKKMPI-UHFFFAOYSA-N
분자식: C21H12Cl2F4N4O
평균 분자량: 483.2 g/mol

이름 및 식별자

우선 이름: 3-(2-chloro-6-fluorophenyl)-5-[4-chloro-3-(5-trifluoromethylpyridine-2-yloxy)phenyl]-1-methyl-1H-1,2,4-triazole
IUPAC: 2-[2-chloro-5-[5-(2-chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]phenoxy]-5-(trifluoromethyl)pyridine

이름 및 동의어

3-(2-chloro-6-fluorophenyl)-5-[4-chloro-3-(5-trifluoromethylpyridine-2-yloxy)phenyl]-1-methyl-1H-1,2,4-triazoleSCHEMBL83043143-(2-chloro-6-fluorophenyl)-5-[4-chloro-3-(5-trifluoromethylpyridine 2-yloxy)phenyl]-1-methyl-1H-1,2,4-triazole

데이터베이스 식별자

PubChem CID: 21463597

물성

구조 계산 물성

XLogP: 6.4
극성 표면적: 52.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 8
회전 가능 결합 수: 4
무거운 원자 수: 32
형식 전하: 0
복잡도: 633

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