2-Imino-10-methyl-3-[(4-methylphenyl)sulfonyl]-1-[2-(4-morpholinyl)ethyl]-1,2-dihydro-5H-dipyrido[1,2-A:2,3-D]pyrimidin-5-one
基本情報
- CAS
606950-01-0- 標準SMILES
Cc1ccc(S(=O)(=O)c2cc3c(=O)n4cccc(C)c4nc3n(CCN3CCOCC3)c2=N)cc1- InChIKey
CNCCCIRKUMJPKR-UHFFFAOYSA-N- 分子式
- C25H27N5O4S
- 平均分子量
- 493.6 g/mol
- 単同位体質量
- 493.17837553
名称と識別子
- 優先名称
- 2-Imino-10-methyl-3-[(4-methylphenyl)sulfonyl]-1-[2-(4-morpholinyl)ethyl]-1,2-dihydro-5H-dipyrido[1,2-A:2,3-D]pyrimidin-5-one
- IUPAC
- 6-imino-11-methyl-5-(4-methylphenyl)sulfonyl-7-(2-morpholin-4-ylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
名称と別名
606950-01-02-IMINO-10-METHYL-3-[(4-METHYLPHENYL)SULFONYL]-1-[2-(4-MORPHOLINYL)ETHYL]-1,2-DIHYDRO-5H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDIN-5-ONE2-IMINO-10-METHYL-3-((4-METHYLPHENYL)SULFONYL)-1-(2-(4-MORPHOLINYL)ETHYL)-1,2-DIHYDRO-5H-DIPYRIDO(1,2-A:2,3-D)PYRIMIDIN-5-ONERefChem:473594646-060-72-Imino-10-methyl-1-(2-morpholinoethyl)-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-oneOprea1_406353STK703539AKOS001654696Z577820372-imino-10-methyl-3-(4-methylbenzene-1-sulfonyl)-1-[2-(morpholin-4-yl)ethyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one2-imino-10-methyl-3-[(4-methylphenyl)sulfonyl]-1-[2-(morpholin-4-yl)ethyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
データベース識別子
- CAS
606950-01-0- PubChem CID
- 1385632
- EC Number
- 646-060-7
物性
構造計算による物性
- XLogP
- 1.4
- 極性表面積
- 115 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 7
- 回転可能結合数
- 5
- 重原子数
- 35
- 形式電荷
- 0
- 複雑度
- 1,180
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
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