4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

Formula: C19H25N3O2S

SMILES: CC1CC(C)CN(C1)C(=O)CN1C=NC2=C(C3=C(CCCC3)S2)C1=O

IUPAC: 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

InChI: InChI=1/C19H25N3O2S/c1-12-7-13(2)9-21(8-12)16(23)10-22-11-20-18-17(19(22)24)14-5-3-4-6-15(14)25-18/h11-13H,3-10H2,1-2H3

Composition: C (63.48%), H (7.01%), N (11.69%), O (8.90%), S (8.92%)

Molar Mass: 359.49

Atom Count: 50

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	359.166748231
Formal Charge	0
FSP3	0.63
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	QFKYSQQZFNUVSM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.27
Topological Polar Surface Area	52.98
Polarizability	37.22
Ring Count	4
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H25N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00