5-benzoyl-10-[4-(trifluoromethoxy)phenyl]-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6-tetraen-12-one

5-benzoyl-10-[4-(trifluoromethoxy)phenyl]-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6-tetraen-12-one

Formula: C27H21F3N2O3

SMILES: FC(F)(F)OC1=CC=C(C=C1)C1NC2=C(NC3=C1C(=O)CCC3)C=C(C=C2)C(=O)C1=CC=CC=C1

IUPAC: 5-benzoyl-10-[4-(trifluoromethoxy)phenyl]-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6-tetraen-12-one

InChI: InChI=1/C27H21F3N2O3/c28-27(29,30)35-19-12-9-16(10-13-19)25-24-21(7-4-8-23(24)33)31-22-15-18(11-14-20(22)32-25)26(34)17-5-2-1-3-6-17/h1-3,5-6,9-15,25,31-32H,4,7-8H2

Composition: C (67.78%), H (4.42%), F (11.91%), N (5.85%), O (10.03%)

Molar Mass: 478.471

Atom Count: 56

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	478.150427033
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	MMUMMSYNSPZGAB-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	125.37
Topological Polar Surface Area	67.43
Polarizability	46.78
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H21F3N2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00