5-[3-chloro-4-(3,5-dichloropyridine-2-yloxymethyl)phenyl]-3-(2-chloro-6-fluorophenyl)-1-methyl-1H-1,2,4-triazole (HCID 21463649)

기본 정보

표준 SMILES: Cn1nc(-c2c(F)cccc2Cl)nc1-c1ccc(COc2ncc(Cl)cc2Cl)c(Cl)c1
InChIKey: MYWVAFPUXTUGFJ-UHFFFAOYSA-N
분자식: C21H13Cl4FN4O
평균 분자량: 498.2 g/mol

이름 및 식별자

우선 이름: 5-[3-chloro-4-(3,5-dichloropyridine-2-yloxymethyl)phenyl]-3-(2-chloro-6-fluorophenyl)-1-methyl-1H-1,2,4-triazole
IUPAC: 3,5-dichloro-2-[[2-chloro-4-[5-(2-chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]methoxy]pyridine

이름 및 동의어

SCHEMBL8305282MYWVAFPUXTUGFJ-UHFFFAOYSA-N5-[3-chloro-4-(3,5-dichloropyridine-2-yloxymethyl)phenyl]-3(2-chloro-6-fluorophenyl)-1-methyl-1H-1,2,4-triazole5-[3-chloro-4-(3,5-dichloropyridine-2-yloxymethyl)phenyl]-3-(2-chloro-6-fluorophenyl)-1-methyl-1H-1,2,4-triazole

데이터베이스 식별자

PubChem CID: 21463649

물성

구조 계산 물성

XLogP: 6.7
극성 표면적: 52.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 31
형식 전하: 0
복잡도: 596

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