2-({6-[2-(5-Chloro-2,4-dimethoxyphenyl)ethyl]-6-cyclopentyl-4-hydroxy-2-oxo-5,6-dihydro-2H-pyran-3-yl}methyl)-6-methylpyrimidin-4(3H)-one

HCID 136152587

기본 정보

표준 SMILES
COc1cc(OC)c(CCC2(C3CCCC3)CC(O)=C(Cc3nc(C)cc(=O)[nH]3)C(=O)O2)cc1Cl
InChIKey
IZBSYIHJRKOEOD-UHFFFAOYSA-N
분자식
C26H31ClN2O6
평균 분자량
503 g/mol

이름 및 식별자

우선 이름
2-({6-[2-(5-Chloro-2,4-dimethoxyphenyl)ethyl]-6-cyclopentyl-4-hydroxy-2-oxo-5,6-dihydro-2H-pyran-3-yl}methyl)-6-methylpyrimidin-4(3H)-one
IUPAC
2-[[2-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]-2-cyclopentyl-4-hydroxy-6-oxo-3H-pyran-5-yl]methyl]-4-methyl-1H-pyrimidin-6-one

이름 및 동의어

SCHEMBL3985950IZBSYIHJRKOEOD-UHFFFAOYSA-N2-({6-[2-(5-Chloro-2,4-dimethoxyphenyl)ethyl]-6-cyclopentyl-4-hydroxy-2-oxo-5,6-dihydro-2H-pyran-3-yl}methyl)-6-methylpyrimidin-4(3H)-one

데이터베이스 식별자

PubChem CID
136152587

물성

구조 계산 물성

XLogP
4
극성 표면적
106 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
7
회전 가능 결합 수
8
무거운 원자 수
35

관련 반응

4건

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