기본 정보
- 표준 SMILES
COc1ccc(-c2cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(=O)n(CC3CC3)n2)cc1F- InChIKey
BEBINFLFHAUKKZ-UHFFFAOYSA-N- 분자식
- C25H33FN4O4
- 평균 분자량
- 472.6 g/mol
이름 및 식별자
- 우선 이름
- 4-(4-tert-butoxycarbonyl-1-piperazinyl)methyl-2-cyclopropylmethyl-6-(3-fluoro-4-methoxyphenyl)-2H-pyridazin-3-one
- IUPAC
- tert-butyl 4-[[2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-3-oxopyridazin-4-yl]methyl]piperazine-1-carboxylate
이름 및 동의어
SCHEMBL1925296BEBINFLFHAUKKZ-UHFFFAOYSA-N4-(4-tert-butoxycarbonyl-1-piperazinyl)methyl-2-cyclo propylmethyl-6-(3-fluoro-4-methoxyphenyl)-2H-pyridazi n-3-one4-(4-tert-Butoxycarbonyl-1-piperazinyl)methyl-2-cyclo propylmethyl-6-(3-fluoro-4-methoxyphenyl)-2H-pyridazine-3-o ne4-(4-tert-butoxycarbonyl-1-piperazinyl)methyl-2-cyclopropylmethyl-6-(3-fluoro-4-methoxyphenyl)-2H-pyridazin-3-one4-(4-tert-Butoxycarbonyl-1-piperazinyl)methyl-2-cyclopropylmethyl-6-(3-fluoro-4-methoxyphenyl)-2H-pyridazine-3-one
데이터베이스 식별자
- PubChem CID
- 21991560
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 74.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 827
관련 반응
9건
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