기본 정보
- 표준 SMILES
CN1CCN(c2ccc3c(c2)CN(C(=O)c2cc(Cl)c(O)cc2O)C3)CC1- InChIKey
IMCANAAIYOYWDU-UHFFFAOYSA-N- 분자식
- C20H22ClN3O3
- 평균 분자량
- 387.9 g/mol
이름 및 식별자
- 우선 이름
- (5-Chloro-2,4-dihydroxy-phenyl)[5-(4-methyl-piperazin-1-yl)-1,3-dihydro-isoindol-2-yl]-methanone
- IUPAC
- (5-chloro-2,4-dihydroxyphenyl)-[5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-2-yl]methanone
이름 및 동의어
SCHEMBL382693IMCANAAIYOYWDU-UHFFFAOYSA-NDB-145989(5-Chloro-2,4-dihydroxy-phenyl)-[5-(4-methyl-piperazin-1-yl)-1,3-dihydro-isoindol-2-yl]-methanone(5-Chloro-2,4-dihydroxy-phenyl)-[5-(4-methyl-piperazin-1-yl)-1.3-dihydro-isoindol-2-yl]-methanone(5-Chloro-2,4-dihydroxy-phenyl)[5-(4-methyl-piperazin-1-yl)-1,3-dihydro-isoindol-2-yl]-methanone(5-Chloro-2,4-dihydroxyphenyl)[1,3-dihydro-5-(4-methyl-1-piperazinyl)-2H-isoindol-2-yl]methanone(5-Chloro-2.4-dihydroxy-phenyl)-[5-(4-methyl-piperazin-1-yl)-1.3-dihydro-isoindol-2-yl]-methanone912999-68-9
데이터베이스 식별자
- PubChem CID
- 11955816
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 67.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 543
관련 반응
18건
화합물 노트
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