5-(4-tert-butylphenyl)-11-ethyl-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

5-(4-tert-butylphenyl)-11-ethyl-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

Formula: C22H28N2OS

SMILES: CCC1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC=C(C=C1)C(C)(C)C

IUPAC: 5-(4-tert-butylphenyl)-11-ethyl-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

InChI: InChI=1/C22H28N2OS/c1-5-13-6-11-16-17(12-13)26-21-18(16)20(25)23-19(24-21)14-7-9-15(10-8-14)22(2,3)4/h7-10,13,19,24H,5-6,11-12H2,1-4H3,(H,23,25)

Composition: C (71.70%), H (7.66%), N (7.60%), O (4.34%), S (8.70%)

Molar Mass: 368.54

Atom Count: 54

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	368.192234704
Formal Charge	0
FSP3	0.5
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	AGIVSABCAYSXSN-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	109.11
Topological Polar Surface Area	41.13
Polarizability	41.1
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H28N2OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00