4-(4-methoxyphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),5-trien-3-one - CAS 65234-02-8
Catalog: |
BB032675 |
Product Name: |
4-(4-methoxyphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),5-trien-3-one |
CAS: |
65234-02-8 |
Synonyms: |
3-(4-methoxyphenyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one; 3-(4-methoxyphenyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one |
IUPAC Name: | 3-(4-methoxyphenyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one |
Description: | 4-(4-methoxyphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),5-trien-3-one (CAS# 65234-02-8 ) is a useful research chemical. |
Molecular Weight: | 344.447 |
Molecular Formula: | C17H16N2O2S2 |
Canonical SMILES: | COC1=CC=C(C=C1)N2C(=O)C3=C(NC2=S)SC4=C3CCCC4 |
InChI: | InChI=1S/C17H16N2O2S2/c1-21-11-8-6-10(7-9-11)19-16(20)14-12-4-2-3-5-13(12)23-15(14)18-17(19)22/h6-9H,2-5H2,1H3,(H,18,22) |
InChI Key: | LYQDUKIEWRXIQB-UHFFFAOYSA-N |
Boiling Point: | 559.6 ℃ at 760 mmHg |
Density: | 1.44 g/cm3 |
MDL: | MFCD01647587 |
LogP: | 3.62330 |
Publication Number | Title | Priority Date |
US-2010087453-A1 | Compounds, screens, and methods of treatment | 20061010 |
US-2014024662-A1 | Compounds, screens, and methods of treatment | 20061010 |
WO-2008045406-A2 | Compounds, screens, and methods of treatment | 20061010 |
Complexity: | 493 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 344.0653201 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 344.0653201 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 102 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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