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

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

Formula: C25H24N2O3S

SMILES: CC1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC=C(OC(=O)C2=CC=C(C)C=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 4-methylbenzoate

InChI: InChI=1/C25H24N2O3S/c1-14-3-6-17(7-4-14)25(29)30-18-10-8-16(9-11-18)22-26-23(28)21-19-12-5-15(2)13-20(19)31-24(21)27-22/h3-4,6-11,15,22,27H,5,12-13H2,1-2H3,(H,26,28)

Composition: C (69.42%), H (5.59%), N (6.48%), O (11.10%), S (7.41%)

Molar Mass: 432.54

Atom Count: 55

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	432.150763815
Formal Charge	0
FSP3	0.28
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	GCNAASKWBQDLSQ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	122.69
Topological Polar Surface Area	67.43
Polarizability	45.89
Ring Count	5
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H24N2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00