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139287-02-8 | Benzenepropanamide, N-(4,5-dihydronaphtho[1,2-d]thiazol-2-yl)-
CAS No: 139287-02-8 Catalog No: AG001AOG MDL No:
Product Description
Catalog Number:
AG001AOG
Chemical Name:
Benzenepropanamide, N-(4,5-dihydronaphtho[1,2-d]thiazol-2-yl)-
CAS Number:
139287-02-8
Molecular Formula:
C20H18N2OS
Molecular Weight:
334.4347
IUPAC Name:
N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-phenylpropanamide
InChI:
InChI=1S/C20H18N2OS/c23-18(13-10-14-6-2-1-3-7-14)21-20-22-19-16-9-5-4-8-15(16)11-12-17(19)24-20/h1-9H,10-13H2,(H,21,22,23)
InChI Key:
RQGOVWWFMBSAQU-UHFFFAOYSA-N
SMILES:
O=C(Nc1nc2c(s1)CCc1c2cccc1)CCc1ccccc1
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.114g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.437g/mol
Monoisotopic Mass:
334.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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