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

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

Formula: C18H23N5O2S2

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

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

InChI: InChI=1S/C18H23N5O2S2/c1-2-6-15(24)19-17-20-21-18(27-17)26-13-16(25)23-11-9-22(10-12-23)14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13H2,1H3,(H,19,20,24)

Composition: C (53.31%), H (5.72%), N (17.27%), O (7.89%), S (15.81%)

Molar Mass: 405.54

Atom Count: 50

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	405.129317349
Formal Charge	0
FSP3	0.44
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	NATNYUKLMZZALW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	111.58
Topological Polar Surface Area	78.43
Polarizability	41.22
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H23N5O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00