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79449-97-1 | 5H-Thiazolo[3,2-a]pyrimidin-5-one,6-[2-[4-(1H-indol-3-yl)-1-piperidinyl]ethyl]-3,7-dimethyl-
CAS No: 79449-97-1 Catalog No: AG005JM1 MDL No:
Product Description
Catalog Number:
AG005JM1
Chemical Name:
5H-Thiazolo[3,2-a]pyrimidin-5-one,6-[2-[4-(1H-indol-3-yl)-1-piperidinyl]ethyl]-3,7-dimethyl-
CAS Number:
79449-97-1
Molecular Formula:
C23H26N4OS
Molecular Weight:
406.5437
IUPAC Name:
6-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-3,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
InChI:
InChI=1S/C23H26N4OS/c1-15-14-29-23-25-16(2)18(22(28)27(15)23)9-12-26-10-7-17(8-11-26)20-13-24-21-6-4-3-5-19(20)21/h3-6,13-14,17,24H,7-12H2,1-2H3
InChI Key:
SZNOIYDSLZNPKL-UHFFFAOYSA-N
SMILES:
Cc1nc2scc(n2c(=O)c1CCN1CCC(CC1)c1c[nH]c2c1cccc2)C
EC Number:
279-160-0
Properties
Complexity:
765
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.183g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
406.548g/mol
Monoisotopic Mass:
406.183g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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