1-{5H,6H-benzo[h]quinazolin-2-yl}-3-(3-chlorophenyl)urea

1-{5H,6H-benzo[h]quinazolin-2-yl}-3-(3-chlorophenyl)urea

CAS: 306979-44-2

Formula: C19H15ClN4O

SMILES: ClC1=CC(NC(=O)NC2=NC3=C(CCC4=C3C=CC=C4)C=N2)=CC=C1

IUPAC: 1-{5H,6H-benzo[h]quinazolin-2-yl}-3-(3-chlorophenyl)urea

InChI: InChI=1S/C19H15ClN4O/c20-14-5-3-6-15(10-14)22-19(25)24-18-21-11-13-9-8-12-4-1-2-7-16(12)17(13)23-18/h1-7,10-11H,8-9H2,(H2,21,22,23,24,25)

Composition: C (65.05%), H (4.31%), Cl (10.11%), N (15.97%), O (4.56%)

Molar Mass: 350.81

Atom Count: 40

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	350.0934388
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	VNAILVFMJPYGDT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	100.51
Topological Polar Surface Area	66.91
Polarizability	37.91
Ring Count	4
Rotatable Bond Count	2

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90%	<2 Days	306979-44-2		$51.35-$524.40$51.35$63.37$86.31$524.40