2-methoxy-4-{[(4E)-3-oxo-5-thia-2,7-diazatricyclo[6.4.0.0²,?]dodeca-1(12),6,8,10-tetraen-4-ylidene]methyl}phenyl 4-fluorobenzoate

2-methoxy-4-{[(4E)-3-oxo-5-thia-2,7-diazatricyclo[6.4.0.0²,?]dodeca-1(12),6,8,10-tetraen-4-ylidene]methyl}phenyl 4-fluorobenzoate

Formula: C24H15FN2O4S

SMILES: COC1=CC(C=C2SC3=NC4=CC=CC=C4N3C2=O)=CC=C1OC(=O)C1=CC=C(F)C=C1

IUPAC: 2-methoxy-4-{[(4E)-3-oxo-5-thia-2,7-diazatricyclo[6.4.0.0²,?]dodeca-1(12),6,8,10-tetraen-4-ylidene]methyl}phenyl 4-fluorobenzoate

InChI: InChI=1S/C24H15FN2O4S/c1-30-20-12-14(6-11-19(20)31-23(29)15-7-9-16(25)10-8-15)13-21-22(28)27-18-5-3-2-4-17(18)26-24(27)32-21/h2-13H,1H3/b21-13+

Composition: C (64.57%), H (3.39%), F (4.26%), N (6.27%), O (14.33%), S (7.18%)

Molar Mass: 446.45

Atom Count: 47

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	5
Asymmetric Atom Count	0
Exact Mass	446.073656308
Formal Charge	0
FSP3	0.04
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	FRLSKNCWTUZFAA-FYJGNVAPSA-N
Lipinski's Rule of Five
Molar Refractivity	119.22
Topological Polar Surface Area	70.42
Polarizability	46.25
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H15FN2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00