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325986-90-1 | N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CAS No: 325986-90-1 Catalog No: AG00IX5P MDL No:MFCD00169895
Product Description
Catalog Number:
AG00IX5P
Chemical Name:
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CAS Number:
325986-90-1
Molecular Formula:
C17H18N2O3S
Molecular Weight:
330.4014
MDL Number:
MFCD00169895
IUPAC Name:
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-methoxybenzamide
InChI:
InChI=1S/C17H18N2O3S/c1-17(2)8-12-14(13(20)9-17)23-16(18-12)19-15(21)10-4-6-11(22-3)7-5-10/h4-7H,8-9H2,1-3H3,(H,18,19,21)
InChI Key:
GECKLPJACZKPKI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)Nc1nc2c(s1)C(=O)CC(C2)(C)C
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.104g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.402g/mol
Monoisotopic Mass:
330.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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