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

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

Formula: C27H25ClN2O2

SMILES: CCOC1=CC=C(C=C1)C1NC2=CC=CC=C2NC2=C1C(=O)CC(C2)C1=CC=C(Cl)C=C1

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

InChI: InChI=1/C27H25ClN2O2/c1-2-32-21-13-9-18(10-14-21)27-26-24(29-22-5-3-4-6-23(22)30-27)15-19(16-25(26)31)17-7-11-20(28)12-8-17/h3-14,19,27,29-30H,2,15-16H2,1H3

Composition: C (72.88%), H (5.66%), Cl (7.97%), N (6.30%), O (7.19%)

Molar Mass: 444.96

Atom Count: 57

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	444.1604558
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	RPJYQERFYOCLIV-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	132.38
Topological Polar Surface Area	50.36
Polarizability	49.28
Ring Count	5
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H25ClN2O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00