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860784-45-8 | 2-{[2-(piperidin-1-yl)-1,3-thiazol-5-yl]methylidene}-2,3-dihydro-1H-indene-1,3-dione
CAS No: 860784-45-8 Catalog No: AG00IQ0C MDL No:MFCD05975037
Product Description
Catalog Number:
AG00IQ0C
Chemical Name:
2-{[2-(piperidin-1-yl)-1,3-thiazol-5-yl]methylidene}-2,3-dihydro-1H-indene-1,3-dione
CAS Number:
860784-45-8
Molecular Formula:
C18H16N2O2S
Molecular Weight:
324.3968
MDL Number:
MFCD05975037
IUPAC Name:
2-[(2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]indene-1,3-dione
InChI:
InChI=1S/C18H16N2O2S/c21-16-13-6-2-3-7-14(13)17(22)15(16)10-12-11-19-18(23-12)20-8-4-1-5-9-20/h2-3,6-7,10-11H,1,4-5,8-9H2
InChI Key:
SCJLSBXQBJBNOD-UHFFFAOYSA-N
SMILES:
O=C1C(=Cc2cnc(s2)N2CCCCC2)C(=O)c2c1cccc2
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.093g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.398g/mol
Monoisotopic Mass:
324.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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