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88572-13-8 | Benzamide, N-[4-(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)-2-thiazolyl]-
CAS No: 88572-13-8 Catalog No: AG004BVC MDL No:
Product Description
Catalog Number:
AG004BVC
Chemical Name:
Benzamide, N-[4-(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)-2-thiazolyl]-
CAS Number:
88572-13-8
Molecular Formula:
C17H20N2O2S
Molecular Weight:
316.4179
IUPAC Name:
N-[4-(2,2-dimethyloxan-4-yl)-1,3-thiazol-2-yl]benzamide
InChI:
InChI=1S/C17H20N2O2S/c1-17(2)10-13(8-9-21-17)14-11-22-16(18-14)19-15(20)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,18,19,20)
InChI Key:
JWLUAGDPRLAXNX-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1scc(n1)C1CCOC(C1)(C)C
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.125g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.419g/mol
Monoisotopic Mass:
316.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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