8-(2,6-Dichloro-3,5-dimethoxy-phenyl)-3-(4-ethyl-piperazin-1-ylmethyl)quinoxaline-5-carboxylic acid
기본 정보
- CAS
1197332-21-0- 표준 SMILES
CCN1CCN(Cc2cnc3c(-c4c(Cl)c(OC)cc(OC)c4Cl)ccc(C(=O)O)c3n2)CC1- InChIKey
KVQRSZSTSFCOJL-UHFFFAOYSA-N- 분자식
- C24H26Cl2N4O4
- 평균 분자량
- 505.4 g/mol
- 단동위원소 질량
- 504.1331107
이름 및 식별자
- 우선 이름
- 8-(2,6-Dichloro-3,5-dimethoxy-phenyl)-3-(4-ethyl-piperazin-1-ylmethyl)quinoxaline-5-carboxylic acid
- IUPAC
- 8-(2,6-dichloro-3,5-dimethoxyphenyl)-3-[(4-ethylpiperazin-1-yl)methyl]quinoxaline-5-carboxylic acid
이름 및 동의어
SCHEMBL1126520KVQRSZSTSFCOJL-UHFFFAOYSA-NDTXSID3011142411197332-21-08-(2,6-Dichloro-3,5-dimethoxy-phenyl)-3-(4-ethyl-piperazin-1-ylmethyl)quinoxaline-5-carboxylic acid8-(2,6-dichloro-3,5-dimethoxy-phenyl)-3-(4-ethyl-piperazin-1-ylmethyl)-quinoxaline-5-carboxylic acid8-(2,6-Dichloro-3,5-dimethoxyphenyl)-3-[(4-ethyl-1-piperazinyl)methyl]-5-quinoxalinecarboxylic acid8-(2,6-dichloro-3,5-dimethoxyphenyl)-3-[(4-ethylpiperazin-1-yl)methyl]quinoxaline-5-carboxylic acid
데이터베이스 식별자
- CAS
1197332-21-0- PubChem CID
- 59292956
- DTXSID
DTXSID301114241
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 88 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 667
관련 반응
10건
화합물 노트
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