bis(3-{[phenyl(pyridin-4-yl)methyl]amino}propyl) oxalate

bis(3-{[phenyl(pyridin-4-yl)methyl]amino}propyl) oxalate

CAS: 1185297-10-2

Formula: C32H34N4O4

SMILES: O=C(OCCCNC(C1=CC=CC=C1)C1=CC=NC=C1)C(=O)OCCCNC(C1=CC=CC=C1)C1=CC=NC=C1

IUPAC: bis(3-{[phenyl(pyridin-4-yl)methyl]amino}propyl) oxalate

InChI: InChI=1/C32H34N4O4/c37-31(39-23-7-17-35-29(25-9-3-1-4-10-25)27-13-19-33-20-14-27)32(38)40-24-8-18-36-30(26-11-5-2-6-12-26)28-15-21-34-22-16-28/h1-6,9-16,19-22,29-30,35-36H,7-8,17-18,23-24H2

Composition: C (71.35%), H (6.36%), N (10.40%), O (11.88%)

Molar Mass: 538.648

Atom Count: 74

Heavy Atom Count: 40

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	2
Exact Mass	538.258005591
Formal Charge	0
FSP3	0.25
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	PDUURLXSWJSJOB-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	152.63
Topological Polar Surface Area	102.44
Polarizability	60.3
Ring Count	4
Rotatable Bond Count	17

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