(5-{2,4-dichloropyrido[2,3-d]pyrimidin-7-yl}-2-methoxyphenyl)methyl 2,2-dimethylpropanoate

(5-{2,4-dichloropyrido[2,3-d]pyrimidin-7-yl}-2-methoxyphenyl)methyl 2,2-dimethylpropanoate

CAS: 1201798-97-1

Formula: C20H19Cl2N3O3

SMILES: COC1=C(COC(=O)C(C)(C)C)C=C(C=C1)C1=CC=C2C(Cl)=NC(Cl)=NC2=N1

IUPAC: (5-{2,4-dichloropyrido[2,3-d]pyrimidin-7-yl}-2-methoxyphenyl)methyl 2,2-dimethylpropanoate

InChI: InChI=1S/C20H19Cl2N3O3/c1-20(2,3)18(26)28-10-12-9-11(5-8-15(12)27-4)14-7-6-13-16(21)24-19(22)25-17(13)23-14/h5-9H,10H2,1-4H3

Composition: C (57.16%), H (4.56%), Cl (16.87%), N (10.00%), O (11.42%)

Molar Mass: 420.29

Atom Count: 47

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	419.0803469
Formal Charge	0
FSP3	0.3
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	JXJZCYZMHHQKEE-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	110.48
Topological Polar Surface Area	74.2
Polarizability	43.72
Ring Count	3
Rotatable Bond Count	6

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95%	<2 Days	1201798-97-1		$51.35-$449.02$51.35$63.37$86.31$292.79$449.02