ethyl 4-(5-{11-methyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-5-yl}furan-2-yl)benzoate

ethyl 4-(5-{11-methyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-5-yl}furan-2-yl)benzoate

Formula: C24H24N2O4S

SMILES: CCOC(=O)C1=CC=C(C=C1)C1=CC=C(O1)C1NC2=C(C3=C(CC(C)CC3)S2)C(=O)N1

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

InChI: InChI=1/C24H24N2O4S/c1-3-29-24(28)15-7-5-14(6-8-15)17-10-11-18(30-17)21-25-22(27)20-16-9-4-13(2)12-19(16)31-23(20)26-21/h5-8,10-11,13,21,26H,3-4,9,12H2,1-2H3,(H,25,27)

Composition: C (66.04%), H (5.54%), N (6.42%), O (14.66%), S (7.34%)

Molar Mass: 436.53

Atom Count: 55

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	436.145678435
Formal Charge	0
FSP3	0.33
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	IUNOCORREBYTMT-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	120.02
Topological Polar Surface Area	80.57
Polarizability	46.06
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H24N2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00