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

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

Formula: C20H19N3O2S

SMILES: O=C1NC(NC2=C1C1=C(CN(CC3=CC=CC=C3)CC1)S2)C1=CC=CO1

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

InChI: InChI=1/C20H19N3O2S/c24-19-17-14-8-9-23(11-13-5-2-1-3-6-13)12-16(14)26-20(17)22-18(21-19)15-7-4-10-25-15/h1-7,10,18,22H,8-9,11-12H2,(H,21,24)

Composition: C (65.73%), H (5.24%), N (11.50%), O (8.76%), S (8.77%)

Molar Mass: 365.45

Atom Count: 45

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	365.119798038
Formal Charge	0
FSP3	0.25
Hetero Ring Count	4
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	UKSLYZYXDRYUGK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	102.51
Topological Polar Surface Area	57.51
Polarizability	38.21
Ring Count	5
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H19N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00