5-(3,4-dimethylphenyl)-6-hydroxy-8-thia-3,5,10-triazatricyclo[7.4.0.0²,?]trideca-1(9),2,6,10,12-pentaen-4-one

5-(3,4-dimethylphenyl)-6-hydroxy-8-thia-3,5,10-triazatricyclo[7.4.0.0²,?]trideca-1(9),2,6,10,12-pentaen-4-one

Formula: C17H13N3O2S

SMILES: CC1=CC=C(C=C1C)N1C(=O)N=C2C3=C(SC2=C1O)N=CC=C3

IUPAC: 5-(3,4-dimethylphenyl)-6-hydroxy-8-thia-3,5,10-triazatricyclo[7.4.0.0²,?]trideca-1(9),2,6,10,12-pentaen-4-one

InChI: InChI=1S/C17H13N3O2S/c1-9-5-6-11(8-10(9)2)20-16(21)14-13(19-17(20)22)12-4-3-7-18-15(12)23-14/h3-8,21H,1-2H3

Composition: C (63.14%), H (4.05%), N (12.99%), O (9.90%), S (9.91%)

Molar Mass: 323.37

Atom Count: 36

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	323.072847845
Formal Charge	0
FSP3	0.12
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	KUTRDFUTYJYKGT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.63
Topological Polar Surface Area	65.79
Polarizability	33.82
Ring Count	4
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H13N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00