5-benzoyl-10-(4-fluorophenyl)-14,14-dimethyl-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

5-benzoyl-10-(4-fluorophenyl)-14,14-dimethyl-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

Formula: C28H25FN2O2

SMILES: CC1(C)CC(=O)C2=C(C1)NC1=CC(=CC=C1NC2C1=CC=C(F)C=C1)C(=O)C1=CC=CC=C1

IUPAC: 5-benzoyl-10-(4-fluorophenyl)-14,14-dimethyl-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

InChI: InChI=1/C28H25FN2O2/c1-28(2)15-23-25(24(32)16-28)26(17-8-11-20(29)12-9-17)31-21-13-10-19(14-22(21)30-23)27(33)18-6-4-3-5-7-18/h3-14,26,30-31H,15-16H2,1-2H3

Composition: C (76.34%), H (5.72%), F (4.31%), N (6.36%), O (7.26%)

Molar Mass: 440.518

Atom Count: 58

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	440.190006216
Formal Charge	0
FSP3	0.21
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	XAYYHUCDEMJUOB-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	131.54
Topological Polar Surface Area	58.2
Polarizability	48.44
Ring Count	5
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H25FN2O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00