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101018-80-8 | [1]Benzothiopyrano[3,4-d]imidazol-4(1H)-one, 1-butyl-2-(1-piperidinylmethyl)-
CAS No: 101018-80-8 Catalog No: AG0003JS MDL No:
Product Description
Catalog Number:
AG0003JS
Chemical Name:
[1]Benzothiopyrano[3,4-d]imidazol-4(1H)-one, 1-butyl-2-(1-piperidinylmethyl)-
CAS Number:
101018-80-8
Molecular Formula:
C20H25N3OS
Molecular Weight:
355.4970
IUPAC Name:
1-butyl-2-(piperidin-1-ylmethyl)thiochromeno[3,4-d]imidazol-4-one
InChI:
InChI=1S/C20H25N3OS/c1-2-3-13-23-17(14-22-11-7-4-8-12-22)21-18-19(23)15-9-5-6-10-16(15)25-20(18)24/h5-6,9-10H,2-4,7-8,11-14H2,1H3
InChI Key:
APKDNAHEMGOTMQ-UHFFFAOYSA-N
SMILES:
CCCCn1c(CN2CCCCC2)nc2c1c1ccccc1sc2=O
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.172g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.5g/mol
Monoisotopic Mass:
355.172g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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