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

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

Formula: C19H17ClN4O4S2

SMILES: COC1=CC=C(OC)C(NC(=O)CSC2=NN=C(NC(=O)C3=CC=CC=C3Cl)S2)=C1

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

InChI: InChI=1S/C19H17ClN4O4S2/c1-27-11-7-8-15(28-2)14(9-11)21-16(25)10-29-19-24-23-18(30-19)22-17(26)12-5-3-4-6-13(12)20/h3-9H,10H2,1-2H3,(H,21,25)(H,22,23,26)

Composition: C (49.08%), H (3.69%), Cl (7.62%), N (12.05%), O (13.76%), S (13.79%)

Molar Mass: 464.94

Atom Count: 47

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	464.0379751
Formal Charge	0
FSP3	0.16
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	YFJHPEUYEIJJAZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	120.87
Topological Polar Surface Area	102.44
Polarizability	44.47
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H17ClN4O4S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00