BAS 00915753,EU-0069946,A1775/0075229,IUPAC Name: ethyl,4-(2-butoxyphe

[Synonyms]
BAS 00915753
EU-0069946
A1775/0075229

[Structure]

[ Properties Computed from Structure]

Molecular Weight	332.39416 [g/mol]
Molecular Formula	C18H24N2O4
XLogP	2.6
H-Bond Donor	2
H-Bond Acceptor	4
Rotatable Bond Count	8
Tautomer Count	5
Exact Mass	332.173607
MonoIsotopic Mass	332.173607
Topological Polar Surface Area	76.7
Heavy Atom Count	24
Formal Charge	0
Complexity	489
Isotope Atom Count	0
Defined Atom StereoCenter Count	0
Undefined Atom StereoCenter Count	1
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

[ Descriptors Computed from Structure]
IUPAC Name: ethyl
4-(2-butoxyphenyl)-6-methyl-2-oxo-3,
4-dihydro-1H-pyrimidine-5-carboxylate
Canonical SMILES: CCCCOC1=CC=CC=C1C2C(=C(NC(=O)N2)C)C(=O)OCC
InChI: InChI=1/C18H24N2O4/c1-4-6-11-24-14-10-8-7-9-13(14)16-15(17(21)23-5-2)12
(3)19-18(22)20-16/h7-10,16H,4-6,11H2,1-3H3,(H2,19,20,22)/f/h19-20H