14-(4-chlorophenyl)-10-(1H-indol-3-yl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

14-(4-chlorophenyl)-10-(1H-indol-3-yl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

Formula: C27H22ClN3O

SMILES: ClC1=CC=C(C=C1)C1CC(=O)C2=C(C1)NC1=CC=CC=C1NC2C1=CNC2=CC=CC=C12

IUPAC: 14-(4-chlorophenyl)-10-(1H-indol-3-yl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

InChI: InChI=1/C27H22ClN3O/c28-18-11-9-16(10-12-18)17-13-24-26(25(32)14-17)27(31-23-8-4-3-7-22(23)30-24)20-15-29-21-6-2-1-5-19(20)21/h1-12,15,17,27,29-31H,13-14H2

Composition: C (73.71%), H (5.04%), Cl (8.06%), N (9.55%), O (3.64%)

Molar Mass: 439.94

Atom Count: 54

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	2
Exact Mass	439.14514
Formal Charge	0
FSP3	0.15
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	SSPBPHSKZQHDGD-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	132.26
Topological Polar Surface Area	56.92
Polarizability	50.15
Ring Count	6
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H22ClN3O		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00