4-benzyl-3-hydroxy-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2,6-triene-5-thione

4-benzyl-3-hydroxy-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2,6-triene-5-thione

Formula: C18H18N2O2S2

SMILES: CC1(C)CC2=C(CO1)SC1=NC(=S)N(CC3=CC=CC=C3)C(O)=C21

IUPAC: 4-benzyl-3-hydroxy-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2,6-triene-5-thione

InChI: InChI=1S/C18H18N2O2S2/c1-18(2)8-12-13(10-22-18)24-15-14(12)16(21)20(17(23)19-15)9-11-6-4-3-5-7-11/h3-7,21H,8-10H2,1-2H3

Composition: C (60.31%), H (5.06%), N (7.81%), O (8.93%), S (17.89%)

Molar Mass: 358.47

Atom Count: 42

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	358.080970176
Formal Charge	0
FSP3	0.33
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	XPDBGUPLSPKXPM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	112.44
Topological Polar Surface Area	45.06
Polarizability	39.48
Ring Count	4
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H18N2O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00