5-(2,5-dimethoxyphenyl)-11-(2-methylbutan-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

5-(2,5-dimethoxyphenyl)-11-(2-methylbutan-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

Formula: C23H30N2O3S

SMILES: CCC(C)(C)C1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC(OC)=CC=C1OC

IUPAC: 5-(2,5-dimethoxyphenyl)-11-(2-methylbutan-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

InChI: InChI=1/C23H30N2O3S/c1-6-23(2,3)13-7-9-15-18(11-13)29-22-19(15)21(26)24-20(25-22)16-12-14(27-4)8-10-17(16)28-5/h8,10,12-13,20,25H,6-7,9,11H2,1-5H3,(H,24,26)

Composition: C (66.64%), H (7.29%), N (6.76%), O (11.58%), S (7.73%)

Molar Mass: 414.56

Atom Count: 59

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	414.197714008
Formal Charge	0
FSP3	0.52
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	GNPZGDUCNOJVCQ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	116.99
Topological Polar Surface Area	59.59
Polarizability	44.38
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H30N2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00