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1020242-40-3 | N,N-diethyl-2-mercapto-7-methoxy-1,3-benzoxazole-5-carboxamide
CAS No: 1020242-40-3 Catalog No: AG00JH6W MDL No:MFCD12033648
Product Description
Catalog Number:
AG00JH6W
Chemical Name:
N,N-diethyl-2-mercapto-7-methoxy-1,3-benzoxazole-5-carboxamide
CAS Number:
1020242-40-3
Molecular Formula:
C13H16N2O3S
Molecular Weight:
280.3427
MDL Number:
MFCD12033648
IUPAC Name:
N,N-diethyl-7-methoxy-2-sulfanylidene-3H-1,3-benzoxazole-5-carboxamide
InChI:
InChI=1S/C13H16N2O3S/c1-4-15(5-2)12(16)8-6-9-11(10(7-8)17-3)18-13(19)14-9/h6-7H,4-5H2,1-3H3,(H,14,19)
InChI Key:
UZQZDHDANCUWPJ-UHFFFAOYSA-N
SMILES:
CCN(C(=O)c1cc(OC)c2c(c1)nc(o2)S)CC
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.088g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.342g/mol
Monoisotopic Mass:
280.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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