4-[14-(4-tert-butylphenyl)-12-oxo-10-(pyridin-3-yl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-9-yl]-4-oxobutanoic acid

4-[14-(4-tert-butylphenyl)-12-oxo-10-(pyridin-3-yl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-9-yl]-4-oxobutanoic acid

Formula: C32H33N3O4

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

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

InChI: InChI=1/C32H33N3O4/c1-32(2,3)23-12-10-20(11-13-23)22-17-25-30(27(36)18-22)31(21-7-6-16-33-19-21)35(28(37)14-15-29(38)39)26-9-5-4-8-24(26)34-25/h4-13,16,19,22,31,34H,14-15,17-18H2,1-3H3,(H,38,39)

Composition: C (73.40%), H (6.35%), N (8.02%), O (12.22%)

Molar Mass: 523.633

Atom Count: 72

Heavy Atom Count: 39

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	523.247106555
Formal Charge	0
FSP3	0.31
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	FFJPCMOQWXRXQZ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	151.56
Topological Polar Surface Area	99.6
Polarizability	57.37
Ring Count	5
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C32H33N3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00