3,5-bis(benzylsulfanyl)-12,12-dimethyl-11-oxa-4,6,8-triazatricyclo[7.4.0.0²,?]trideca-1(9),2,4,6-tetraene

3,5-bis(benzylsulfanyl)-12,12-dimethyl-11-oxa-4,6,8-triazatricyclo[7.4.0.0²,?]trideca-1(9),2,4,6-tetraene

Formula: C25H25N3OS2

SMILES: CC1(C)CC2=C(CO1)NC1=NC(SCC3=CC=CC=C3)=NC(SCC3=CC=CC=C3)=C21

IUPAC: 3,5-bis(benzylsulfanyl)-12,12-dimethyl-11-oxa-4,6,8-triazatricyclo[7.4.0.0²,?]trideca-1(9),2,4,6-tetraene

InChI: InChI=1S/C25H25N3OS2/c1-25(2)13-19-20(14-29-25)26-22-21(19)23(30-15-17-9-5-3-6-10-17)28-24(27-22)31-16-18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3,(H,26,27,28)

Composition: C (67.08%), H (5.63%), N (9.39%), O (3.57%), S (14.32%)

Molar Mass: 447.62

Atom Count: 56

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	447.143904785
Formal Charge	0
FSP3	0.28
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	FHVNTNDTAGLJRH-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	132.67
Topological Polar Surface Area	50.8
Polarizability	51.21
Ring Count	5
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H25N3OS2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00