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

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

Formula: C24H16N2O4S

SMILES: COC1=CC=C(C=C2/SC3=NC4=CC=CC=C4N3C2=O)C=C1OC(=O)C1=CC=CC=C1

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

InChI: InChI=1S/C24H16N2O4S/c1-29-19-12-11-15(13-20(19)30-23(28)16-7-3-2-4-8-16)14-21-22(27)26-18-10-6-5-9-17(18)25-24(26)31-21/h2-14H,1H3/b21-14-

Composition: C (67.28%), H (3.76%), N (6.54%), O (14.94%), S (7.48%)

Molar Mass: 428.46

Atom Count: 47

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	5
Asymmetric Atom Count	0
Exact Mass	428.083078177
Formal Charge	0
FSP3	0.04
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	IYZMRQHMXFDXQB-STZFKDTASA-N
Lipinski's Rule of Five	1
Molar Refractivity	119.01
Topological Polar Surface Area	70.42
Polarizability	46.6
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H16N2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00