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
- 형식 전하
- 0
- 복잡도
- 600
관련 반응
4건
연결된 노트
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