6-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)propyl]-4-(4-methyl-1-piperazinyl)methyl-2H-pyridazin-3-one
기본 정보
- 표준 SMILES
COc1ccc(-c2cc(CN3CCN(C)CC3)c(=O)n(CCCc3ccc(F)cc3)n2)cc1F- InChIKey
HFFMRENNDVYABX-UHFFFAOYSA-N- 분자식
- C26H30F2N4O2
- 평균 분자량
- 468.5 g/mol
이름 및 식별자
- 우선 이름
- 6-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)propyl]-4-(4-methyl-1-piperazinyl)methyl-2H-pyridazin-3-one
- IUPAC
- 6-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one
이름 및 동의어
SCHEMBL1924335HFFMRENNDVYABX-UHFFFAOYSA-N6-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)propy 1]-4-(4-methyl-1-piperazinyl)methyl-2H-pyridazin-3-one6-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)propy l]-4-(4-methyl-1-piperazinyl)methyl-2H-pyridazin-3-one6-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)propyl]-4-(4-methyl-1-piperazinyl)methyl-2H-pyridazin-3-one
데이터베이스 식별자
- PubChem CID
- 10183556
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 48.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 745
관련 반응
4건
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