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19819-18-2 | [1]Benzothieno[2,3-d]pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-phenyl-
CAS No: 19819-18-2 Catalog No: AG002BC6 MDL No:
Product Description
Catalog Number:
AG002BC6
Chemical Name:
[1]Benzothieno[2,3-d]pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-phenyl-
CAS Number:
19819-18-2
Molecular Formula:
C16H14N2OS
Molecular Weight:
282.3602
IUPAC Name:
2-phenyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C16H14N2OS/c19-15-13-11-8-4-5-9-12(11)20-16(13)18-14(17-15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,17,18,19)
InChI Key:
CDFWRIZOSNAGCV-UHFFFAOYSA-N
SMILES:
O=c1nc([nH]c2c1c1CCCCc1s2)c1ccccc1
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.083g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.361g/mol
Monoisotopic Mass:
282.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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