benzyl 4,5-bis(benzyloxy)pyridine-2-carboxylate

benzyl 4,5-bis(benzyloxy)pyridine-2-carboxylate

CAS: 112334-42-6

Formula: C27H23NO4

SMILES: O=C(OCC1=CC=CC=C1)C1=CC(OCC2=CC=CC=C2)=C(OCC2=CC=CC=C2)C=N1

IUPAC: benzyl 4,5-bis(benzyloxy)pyridine-2-carboxylate

InChI: InChI=1S/C27H23NO4/c29-27(32-20-23-14-8-3-9-15-23)24-16-25(30-18-21-10-4-1-5-11-21)26(17-28-24)31-19-22-12-6-2-7-13-22/h1-17H,18-20H2

Composition: C (76.22%), H (5.45%), N (3.29%), O (15.04%)

Molar Mass: 425.484

Atom Count: 55

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	425.162708225
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	NNVNDLCNXISESU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	122.32
Topological Polar Surface Area	57.65
Polarizability	47.67
Ring Count	4
Rotatable Bond Count	10

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