10-(butylsulfanyl)-11-(4-methoxyphenyl)-7-thia-9,11-diazatricyclo[6.4.0.0²,?]dodeca-1(8),2(6),9-trien-12-one

10-(butylsulfanyl)-11-(4-methoxyphenyl)-7-thia-9,11-diazatricyclo[6.4.0.0²,?]dodeca-1(8),2(6),9-trien-12-one

Formula: C20H22N2O2S2

SMILES: CCCCSC1=NC2=C(C3=C(CCC3)S2)C(=O)N1C1=CC=C(OC)C=C1

IUPAC: 10-(butylsulfanyl)-11-(4-methoxyphenyl)-7-thia-9,11-diazatricyclo[6.4.0.0²,?]dodeca-1(8),2(6),9-trien-12-one

InChI: InChI=1S/C20H22N2O2S2/c1-3-4-12-25-20-21-18-17(15-6-5-7-16(15)26-18)19(23)22(20)13-8-10-14(24-2)11-9-13/h8-11H,3-7,12H2,1-2H3

Composition: C (62.15%), H (5.74%), N (7.25%), O (8.28%), S (16.59%)

Molar Mass: 386.53

Atom Count: 48

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	386.112270304
Formal Charge	0
FSP3	0.4
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	XFCGFNMQZATKKP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	109.45
Topological Polar Surface Area	41.9
Polarizability	41.05
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H22N2O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00