3-[2-(9-amino-7-ethoxyacridin-3-yl)diazen-1-yl]pyridine-2,6-diamine

3-[2-(9-amino-7-ethoxyacridin-3-yl)diazen-1-yl]pyridine-2,6-diamine

CAS: 681282-09-7

Formula: C20H19N7O

SMILES: CCOC1=CC2=C(N)C3=CC=C(C=C3N=C2C=C1)N=NC1=C(N)N=C(N)C=C1

IUPAC: 3-[2-(9-amino-7-ethoxyacridin-3-yl)diazen-1-yl]pyridine-2,6-diamine

InChI: InChI=1S/C20H19N7O/c1-2-28-12-4-6-15-14(10-12)19(22)13-5-3-11(9-17(13)24-15)26-27-16-7-8-18(21)25-20(16)23/h3-10H,2H2,1H3,(H2,22,24)(H4,21,23,25)

Composition: C (64.33%), H (5.13%), N (26.26%), O (4.28%)

Molar Mass: 373.42

Atom Count: 47

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	373.16510826
Formal Charge	0
FSP3	0.1
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
InChIKey	QNWGRUNKGVWOTA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	114.16
Topological Polar Surface Area	137.79
Polarizability	42.58
Ring Count	4
Rotatable Bond Count	4

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