11-benzyl-5-(4-fluorophenyl)-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

11-benzyl-5-(4-fluorophenyl)-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

Formula: C22H20FN3OS

SMILES: FC1=CC=C(C=C1)C1NC2=C(C3=C(CN(CC4=CC=CC=C4)CC3)S2)C(=O)N1

IUPAC: 11-benzyl-5-(4-fluorophenyl)-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

InChI: InChI=1/C22H20FN3OS/c23-16-8-6-15(7-9-16)20-24-21(27)19-17-10-11-26(12-14-4-2-1-3-5-14)13-18(17)28-22(19)25-20/h1-9,20,25H,10-13H2,(H,24,27)

Composition: C (67.16%), H (5.12%), F (4.83%), N (10.68%), O (4.07%), S (8.15%)

Molar Mass: 393.48

Atom Count: 48

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	393.131111613
Formal Charge	0
FSP3	0.23
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	MIBJTYLEARBBCS-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.34
Topological Polar Surface Area	44.37
Polarizability	40.99
Ring Count	5
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H20FN3OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00