3-[3-(benzyloxy)pyridin-2-yl]-1-[(4-methoxyphenyl)methyl]urea

3-[3-(benzyloxy)pyridin-2-yl]-1-[(4-methoxyphenyl)methyl]urea

CAS: 1023511-68-3

Formula: C21H21N3O3

SMILES: COC1=CC=C(CNC(=O)NC2=NC=CC=C2OCC2=CC=CC=C2)C=C1

IUPAC: 3-[3-(benzyloxy)pyridin-2-yl]-1-[(4-methoxyphenyl)methyl]urea

InChI: InChI=1S/C21H21N3O3/c1-26-18-11-9-16(10-12-18)14-23-21(25)24-20-19(8-5-13-22-20)27-15-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H2,22,23,24,25)

Composition: C (69.41%), H (5.82%), N (11.56%), O (13.21%)

Molar Mass: 363.417

Atom Count: 48

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	363.158291548
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	NXWDWBPTCGMHRZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	104.8
Topological Polar Surface Area	72.48
Polarizability	39.67
Ring Count	3
Rotatable Bond Count	7

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