4-methoxy-N-(5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide

4-methoxy-N-(5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide

Formula: C22H23N5O3S2

SMILES: COC1=CC=C(C=C1)C(=O)NC1=NN=C(SCC(=O)N2CCN(CC2)C2=CC=CC=C2)S1

IUPAC: 4-methoxy-N-(5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide

InChI: InChI=1S/C22H23N5O3S2/c1-30-18-9-7-16(8-10-18)20(29)23-21-24-25-22(32-21)31-15-19(28)27-13-11-26(12-14-27)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,23,24,29)

Composition: C (56.27%), H (4.94%), N (14.91%), O (10.22%), S (13.65%)

Molar Mass: 469.58

Atom Count: 55

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	469.124231969
Formal Charge	0
FSP3	0.27
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	UNXCUGVFZPBSSF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	129.49
Topological Polar Surface Area	87.66
Polarizability	47.77
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H23N5O3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00