4-[(2,5-dimethyl-4-prop-2-enylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide

HCID 2494

기본 정보

표준 SMILES
C=CCN1CC(C)N(C(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)CC1C
InChIKey
LBLDMHBSVIVJPM-UHFFFAOYSA-N
분자식
C27H37N3O2
평균 분자량
435.6 g/mol

이름 및 식별자

우선 이름
4-[(2,5-dimethyl-4-prop-2-enylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide
IUPAC
4-[(2,5-dimethyl-4-prop-2-enylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide

이름 및 동의어

CHEMBL3038554-[(4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxy-phenyl)-methyl]-N,N-diethyl-benzamideSCHEMBL4576398LBLDMHBSVIVJPM-UHFFFAOYSA-NFGA83650BDBM500390284-[(2,5-dimethyl-4-prop-2-enylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamideQ4836836Piperazine, 2,5-dimethyl-1-[[.alpha.-hydroxyphenyl-4-(N,N-diethylamino)4-[(4-Allyl-2,5-dimethyl-1-piperazinyl)(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide #

데이터베이스 식별자

PubChem CID
2494
ChEMBL
CHEMBL303855

물성

구조 계산 물성

XLogP
4.6
극성 표면적
47 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
8
무거운 원자 수
32

관련 반응

4건

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