基本情報
- CAS
379244-60-7- 標準SMILES
O=c1c2c(-c3ccccc3)csc2nc2c3ccccc3c(Sc3ccc4c(c3)OCCO4)nn12- InChIKey
GIAFEIGMWRCIGB-UHFFFAOYSA-N- 分子式
- C27H17N3O3S2
- 平均分子量
- 495.6 g/mol
- 単同位体質量
- 495.07113376
名称と識別子
- 優先名称
- 5-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)thio)-9-phenyl-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one
- IUPAC
- 8-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-13-phenyl-15-thia-9,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),13-heptaen-11-one
- 英語名
- 5-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)thio)-9-phenyl-8H-thieno[2,3:4,5]pyrimido[2,1-a]phthalazin-8-one
- 分子式
- C27H17N3O3S2
- 分子量
- 495.57
名称と別名
379244-60-7F1174-24865-[(2,3-Dihydro-1,4-benzodioxin-6-yl)thio]-9-phenyl-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one5-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)thio)-9-phenyl-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-oneDTXSID101111708SMSSF-0064311AKOS0010544148-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfanyl)-13-phenyl-15-thia-9,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),13-heptaen-11-oneUPCMLD0ENAT0517-0099:001AF-399/40806115Z311152355-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-9-phenyl-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one
名称をさらに表示
5-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)thio)-9-phenyl-8H-thieno[2,3:4,5]pyrimido[2,1-a]phthalazin-8-one8H-Thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one, 5-[(2,3-dihydro-1,4-benzodioxin-6-yl)thio]-9-phenyl-
5-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-9-phenyl-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one5-[(2,3-Dihydro-1,4-benzodioxin-6-yl)sulfanyl]-9-phenyl-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one5-[(2,3-Dihydro-1,4-benzodioxin-6-yl)thio]-9-phenyl-8H-thieno[2a(2),3a(2):4,5]pyrimido[2,1-a]phthalazin-8-one8-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-13-phenyl-15-thia-9,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(17),2(7),3,5,8,12(16),13-heptaen-11-one8-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-13-phenyl-15-thia-9,10,17-triazatetracyclo[8.7.0.0(2),.0(1)(2),(1)]heptadeca-1(17),2(7),3,5,8,12(16),13-heptaen-11-one
物性
構造計算による物性
- XLogP
- 5.9
- 極性表面積
- 117 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 7
- 回転可能結合数
- 3
- 重原子数
- 35
- 形式電荷
- 0
- 複雑度
- 891
物理化学的性質
- 沸点
- 713.8 · 713.8±70.0 °C(Predicted)
- 比重(密度)
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- -2.47 · -2.47±0.20(Predicted)
化学と産業
サプライヤー4 社
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
SPECS[email protected]
IFLAB-BB[email protected]
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