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307512-27-2 | Thieno[2,3-d]pyrimidin-4(1H)-one, 2,3-dihydro-5-(4-methoxyphenyl)-3-(2-propen-1-yl)-2-thioxo-
CAS No: 307512-27-2 Catalog No: AG00315S MDL No:
Product Description
Catalog Number:
AG00315S
Chemical Name:
Thieno[2,3-d]pyrimidin-4(1H)-one, 2,3-dihydro-5-(4-methoxyphenyl)-3-(2-propen-1-yl)-2-thioxo-
CAS Number:
307512-27-2
Molecular Formula:
C16H14N2O2S2
Molecular Weight:
330.4246
IUPAC Name:
5-(4-methoxyphenyl)-3-prop-2-enyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C16H14N2O2S2/c1-3-8-18-15(19)13-12(9-22-14(13)17-16(18)21)10-4-6-11(20-2)7-5-10/h3-7,9H,1,8H2,2H3,(H,17,21)
InChI Key:
UHWZIWBLIDSJDF-UHFFFAOYSA-N
SMILES:
C=CCn1c(=S)[nH]c2c(c1=O)c(cs2)c1ccc(cc1)OC
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.05g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.42g/mol
Monoisotopic Mass:
330.05g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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