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20886-96-8 | [1]Benzothieno[2,3-d]pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-(1-piperidinylmethyl)-
CAS No: 20886-96-8 Catalog No: AG002JXY MDL No:
Product Description
Catalog Number:
AG002JXY
Chemical Name:
[1]Benzothieno[2,3-d]pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-(1-piperidinylmethyl)-
CAS Number:
20886-96-8
Molecular Formula:
C16H21N3OS
Molecular Weight:
303.4224
IUPAC Name:
2-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C16H21N3OS/c20-15-14-11-6-2-3-7-12(11)21-16(14)18-13(17-15)10-19-8-4-1-5-9-19/h1-10H2,(H,17,18,20)
InChI Key:
IWVIFYLUTNWQIY-UHFFFAOYSA-N
SMILES:
O=c1nc(CN2CCCCC2)[nH]c2c1c1CCCCc1s2
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.141g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.424g/mol
Monoisotopic Mass:
303.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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