2-bromo-N-[5-({[(2-phenoxyethyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide

2-bromo-N-[5-({[(2-phenoxyethyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide

Formula: C19H17BrN4O3S2

SMILES: BrC1=CC=CC=C1C(=O)NC1=NN=C(SCC(=O)NCCOC2=CC=CC=C2)S1

IUPAC: 2-bromo-N-[5-({[(2-phenoxyethyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide

InChI: InChI=1S/C19H17BrN4O3S2/c20-15-9-5-4-8-14(15)17(26)22-18-23-24-19(29-18)28-12-16(25)21-10-11-27-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,21,25)(H,22,23,26)

Composition: C (46.25%), H (3.47%), Br (16.19%), N (11.36%), O (9.73%), S (13.00%)

Molar Mass: 493.39

Atom Count: 46

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	491.992546
Formal Charge	0
FSP3	0.16
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	UUBRROVLYWFSHB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	119.75
Topological Polar Surface Area	93.21
Polarizability	44.69
Ring Count	3
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H17BrN4O3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00