5-(butylsulfanyl)-12,12-dimethyl-4-(prop-2-en-1-yl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

5-(butylsulfanyl)-12,12-dimethyl-4-(prop-2-en-1-yl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

Formula: C18H24N2O2S2

SMILES: CCCCSC1=NC2=C(C3=C(COC(C)(C)C3)S2)C(=O)N1CC=C

IUPAC: 5-(butylsulfanyl)-12,12-dimethyl-4-(prop-2-en-1-yl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

InChI: InChI=1S/C18H24N2O2S2/c1-5-7-9-23-17-19-15-14(16(21)20(17)8-6-2)12-10-18(3,4)22-11-13(12)24-15/h6H,2,5,7-11H2,1,3-4H3

Composition: C (59.31%), H (6.64%), N (7.69%), O (8.78%), S (17.59%)

Molar Mass: 364.52

Atom Count: 48

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	364.127920369
Formal Charge	0
FSP3	0.56
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	FZFDQJRQJQKZLW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	103.27
Topological Polar Surface Area	41.9
Polarizability	38.5
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H24N2O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00