4-{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),4-trien-5-yl}benzoic acid

4-{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),4-trien-5-yl}benzoic acid

Formula: C17H14N2O3S

SMILES: OC(=O)C1=CC=C(C=C1)C1=NC(=O)C2=C(N1)SC1=C2CCCC1

IUPAC: 4-{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),4-trien-5-yl}benzoic acid

InChI: InChI=1S/C17H14N2O3S/c20-15-13-11-3-1-2-4-12(11)23-16(13)19-14(18-15)9-5-7-10(8-6-9)17(21)22/h5-8H,1-4H2,(H,21,22)(H,18,19,20)

Composition: C (62.56%), H (4.32%), N (8.58%), O (14.71%), S (9.82%)

Molar Mass: 326.37

Atom Count: 37

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	326.072513493
Formal Charge	0
FSP3	0.24
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	VDZSJHZDAQVKLM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.57
Topological Polar Surface Area	78.76
Polarizability	32.29
Ring Count	4
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H14N2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00