1-(hydroxymethyl)-17-(2-propoxyphenyl)-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

1-(hydroxymethyl)-17-(2-propoxyphenyl)-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

Formula: C28H25NO4

SMILES: CCCOC1=CC=CC=C1N1C(=O)C2C(C1=O)C1(CO)C3=C(C=CC=C3)C2C2=C1C=CC=C2

IUPAC: 1-(hydroxymethyl)-17-(2-propoxyphenyl)-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

InChI: InChI=1/C28H25NO4/c1-2-15-33-22-14-8-7-13-21(22)29-26(31)24-23-17-9-3-5-11-19(17)28(16-30,25(24)27(29)32)20-12-6-4-10-18(20)23/h3-14,23-25,30H,2,15-16H2,1H3

Composition: C (76.52%), H (5.73%), N (3.19%), O (14.56%)

Molar Mass: 439.511

Atom Count: 58

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	439.178358289
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VXSBNGLXOPVRRZ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	135.15
Topological Polar Surface Area	66.84
Polarizability	48.29
Ring Count	6
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H25NO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00