12,14-dimethyl-9-(5-methylfuran-2-yl)-17-phenyl-1,8,12,14-tetraazatetracyclo[8.7.0.0²,?.0¹¹,¹?]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione

12,14-dimethyl-9-(5-methylfuran-2-yl)-17-phenyl-1,8,12,14-tetraazatetracyclo[8.7.0.0²,?.0¹¹,¹?]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione

CAS: 931706-15-9

Formula: C26H22N4O3

SMILES: CN1C2=C3C(NC4=C(C=CC=C4)N3C(=C2C(=O)N(C)C1=O)C1=CC=CC=C1)C1=CC=C(C)O1

IUPAC: 12,14-dimethyl-9-(5-methylfuran-2-yl)-17-phenyl-1,8,12,14-tetraazatetracyclo[8.7.0.0²,?.0¹¹,¹?]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione

InChI: InChI=1/C26H22N4O3/c1-15-13-14-19(33-15)21-24-23-20(25(31)29(3)26(32)28(23)2)22(16-9-5-4-6-10-16)30(24)18-12-8-7-11-17(18)27-21/h4-14,21,27H,1-3H3

Composition: C (71.22%), H (5.06%), N (12.78%), O (10.95%)

Molar Mass: 438.487

Atom Count: 55

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	5
Asymmetric Atom Count	1
Exact Mass	438.169190584
Formal Charge	0
FSP3	0.15
Hetero Ring Count	4
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MNOOVRNGPIWJDI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	137
Topological Polar Surface Area	70.72
Polarizability	48.54
Ring Count	6
Rotatable Bond Count	2

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