3',6'-bis(dimethylamino)-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-6-carboxamide

3',6'-bis(dimethylamino)-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-6-carboxamide

Formula: C31H28N4O6

SMILES: CN(C)C1=CC=C2C(OC3=CC(=CC=C3C22OC(=O)C3=CC=C(C=C23)C(=O)NCCN2C(=O)C=CC2=O)N(C)C)=C1

IUPAC: 3',6'-bis(dimethylamino)-N-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-6-carboxamide

InChI: InChI=1S/C31H28N4O6/c1-33(2)19-6-9-22-25(16-19)40-26-17-20(34(3)4)7-10-23(26)31(22)24-15-18(5-8-21(24)30(39)41-31)29(38)32-13-14-35-27(36)11-12-28(35)37/h5-12,15-17H,13-14H2,1-4H3,(H,32,38)

Composition: C (67.38%), H (5.11%), N (10.14%), O (17.37%)

Molar Mass: 552.587

Atom Count: 69

Heavy Atom Count: 41

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	552.200884638
Formal Charge	0
FSP3	0.23
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	LLYYNGSVFARFNI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	156.37
Topological Polar Surface Area	108.49
Polarizability	57.06
Ring Count	6
Rotatable Bond Count	6

Suppliers

Axispharm

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<2 Days	C31H28N4O6		$103.95-$1,124.55$103.95$198.45$387.45$656.78$1,124.55