ethyl 4-(2-ethoxy-2-oxoethylidene)-2-oxo-6-phenyl-1,3-diazinane-5-carboxylate

ethyl 4-(2-ethoxy-2-oxoethylidene)-2-oxo-6-phenyl-1,3-diazinane-5-carboxylate

CAS: 938189-69-6

Formula: C17H20N2O5

SMILES: CCOC(=O)C=C1NC(=O)NC(C1C(=O)OCC)C1=CC=CC=C1

IUPAC: ethyl 4-(2-ethoxy-2-oxoethylidene)-2-oxo-6-phenyl-1,3-diazinane-5-carboxylate

InChI: InChI=1/C17H20N2O5/c1-3-23-13(20)10-12-14(16(21)24-4-2)15(19-17(22)18-12)11-8-6-5-7-9-11/h5-10,14-15H,3-4H2,1-2H3,(H2,18,19,22)

Composition: C (61.44%), H (6.07%), N (8.43%), O (24.07%)

Molar Mass: 332.356

Atom Count: 44

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	332.137221752
Formal Charge	0
FSP3	0.35
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	ZRVIWRCMOYEGTB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.2
Topological Polar Surface Area	93.73
Polarizability	33.54
Ring Count	2
Rotatable Bond Count	7

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95%	<2 Days	938189-69-6		$51.35-$359.43$51.35$63.37$75.38$86.31$120.18$359.43