ethyl 5-{[(4-chlorophenyl)methyl]amino}-3-phenyl-1,2,4-triazine-6-carboxylate

ethyl 5-{[(4-chlorophenyl)methyl]amino}-3-phenyl-1,2,4-triazine-6-carboxylate

CAS: 866051-64-1

Formula: C19H17ClN4O2

SMILES: CCOC(=O)C1=NN=C(N=C1NCC1=CC=C(Cl)C=C1)C1=CC=CC=C1

IUPAC: ethyl 5-{[(4-chlorophenyl)methyl]amino}-3-phenyl-1,2,4-triazine-6-carboxylate

InChI: InChI=1S/C19H17ClN4O2/c1-2-26-19(25)16-18(21-12-13-8-10-15(20)11-9-13)22-17(24-23-16)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,21,22,24)

Composition: C (61.88%), H (4.65%), Cl (9.61%), N (15.19%), O (8.68%)

Molar Mass: 368.82

Atom Count: 43

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	368.1040035
Formal Charge	0
FSP3	0.16
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	QPXJBBNYPRGNOB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	114.32
Topological Polar Surface Area	77
Polarizability	38.65
Ring Count	3
Rotatable Bond Count	7

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90%	<2 Days	866051-64-1		$51.35-$524.40$51.35$63.37$86.31$524.40