4-{14-[4-(diethylamino)phenyl]-12-oxo-10-phenyl-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-9-yl}-4-oxobutanoic acid

4-{14-[4-(diethylamino)phenyl]-12-oxo-10-phenyl-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-9-yl}-4-oxobutanoic acid

Formula: C33H35N3O4

SMILES: CCN(CC)C1=CC=C(C=C1)C1CC(=O)C2=C(C1)NC1=CC=CC=C1N(C2C1=CC=CC=C1)C(=O)CCC(O)=O

IUPAC: 4-{14-[4-(diethylamino)phenyl]-12-oxo-10-phenyl-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-9-yl}-4-oxobutanoic acid

InChI: InChI=1/C33H35N3O4/c1-3-35(4-2)25-16-14-22(15-17-25)24-20-27-32(29(37)21-24)33(23-10-6-5-7-11-23)36(30(38)18-19-31(39)40)28-13-9-8-12-26(28)34-27/h5-17,24,33-34H,3-4,18-21H2,1-2H3,(H,39,40)

Composition: C (73.72%), H (6.56%), N (7.82%), O (11.90%)

Molar Mass: 537.66

Atom Count: 75

Heavy Atom Count: 40

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	537.262756619
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	WKMLAVZSZNFSEK-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	158.97
Topological Polar Surface Area	89.95
Polarizability	59.49
Ring Count	5
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C33H35N3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00