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

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

Formula: C24H22N2O3S

SMILES: CC1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC=C(OC(=O)C2=CC=CC=C2)C=C1

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

InChI: InChI=1/C24H22N2O3S/c1-14-7-12-18-19(13-14)30-23-20(18)22(27)25-21(26-23)15-8-10-17(11-9-15)29-24(28)16-5-3-2-4-6-16/h2-6,8-11,14,21,26H,7,12-13H2,1H3,(H,25,27)

Composition: C (68.88%), H (5.30%), N (6.69%), O (11.47%), S (7.66%)

Molar Mass: 418.51

Atom Count: 52

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	418.13511375
Formal Charge	0
FSP3	0.25
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	WXVLCGHVEMCUBA-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	117.65
Topological Polar Surface Area	67.43
Polarizability	44.13
Ring Count	5
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H22N2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00