2-cyclopropylmethyl-4-[3-(4-tert-butoxycarbonyl-1-piperazinyl)propyl]-6-(3-fluoro-4-methoxyphenyl)-2H-pyridazin-3-one

HCID 21991398

기본 정보

표준 SMILES
COc1ccc(-c2cc(CCCN3CCN(C(=O)OC(C)(C)C)CC3)c(=O)n(CC3CC3)n2)cc1F
InChIKey
FKSZQDIODDSSGD-UHFFFAOYSA-N
분자식
C27H37FN4O4
평균 분자량
500.6 g/mol

이름 및 식별자

우선 이름
2-cyclopropylmethyl-4-[3-(4-tert-butoxycarbonyl-1-piperazinyl)propyl]-6-(3-fluoro-4-methoxyphenyl)-2H-pyridazin-3-one
IUPAC
tert-butyl 4-[3-[2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-3-oxopyridazin-4-yl]propyl]piperazine-1-carboxylate

이름 및 동의어

SCHEMBL1925219FKSZQDIODDSSGD-UHFFFAOYSA-N2-cyclopropylmethyl-4-[3-(4-tert-butoxycarbonyl-1-piper azinyl)propyl]-6-(3-fluoro-4-methoxyphenyl)-2H-pyridazi n-3-one2-cyclopropylmethyl-4-[3-(4-tert-butoxycarbonyl-1-piper azinyl)propyl]-6-(3-fluoro-4-methoxyphenyl)-2H-pyridazin-3-one2-cyclopropylmethyl-4-[3-(4-tert-butoxycarbonyl-1-piperazinyl)propyl]-6-(3-fluoro-4-methoxyphenyl)-2H-pyridazin-3-one

데이터베이스 식별자

PubChem CID
21991398

물성

구조 계산 물성

XLogP
3.6
극성 표면적
74.7 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
7
회전 가능 결합 수
10
무거운 원자 수
36

관련 반응

6건

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