2-methoxy-4-{11-methyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-5-yl}phenyl naphthalene-1-carboxylate

2-methoxy-4-{11-methyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-5-yl}phenyl naphthalene-1-carboxylate

Formula: C29H26N2O4S

SMILES: COC1=CC(=CC=C1OC(=O)C1=CC=CC2=CC=CC=C12)C1NC2=C(C3=C(CC(C)CC3)S2)C(=O)N1

IUPAC: 2-methoxy-4-{11-methyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-5-yl}phenyl naphthalene-1-carboxylate

InChI: InChI=1/C29H26N2O4S/c1-16-10-12-21-24(14-16)36-28-25(21)27(32)30-26(31-28)18-11-13-22(23(15-18)34-2)35-29(33)20-9-5-7-17-6-3-4-8-19(17)20/h3-9,11,13,15-16,26,31H,10,12,14H2,1-2H3,(H,30,32)

Composition: C (69.86%), H (5.26%), N (5.62%), O (12.84%), S (6.43%)

Molar Mass: 498.6

Atom Count: 62

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	2
Exact Mass	498.161328499
Formal Charge	0
FSP3	0.24
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	QJLLMPFWWUGVRG-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	140.56
Topological Polar Surface Area	76.66
Polarizability	54.15
Ring Count	6
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C29H26N2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00