N-[5-({[(2-chlorophenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide

N-[5-({[(2-chlorophenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide

Formula: C18H15ClN4O3S2

SMILES: COC1=CC=C(C=C1)C(=O)NC1=NN=C(SCC(=O)NC2=CC=CC=C2Cl)S1

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

InChI: InChI=1S/C18H15ClN4O3S2/c1-26-12-8-6-11(7-9-12)16(25)21-17-22-23-18(28-17)27-10-15(24)20-14-5-3-2-4-13(14)19/h2-9H,10H2,1H3,(H,20,24)(H,21,22,25)

Composition: C (49.71%), H (3.48%), Cl (8.15%), N (12.88%), O (11.04%), S (14.74%)

Molar Mass: 434.91

Atom Count: 43

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	434.0274104
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	HNCYZPVCKBFJJX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	114.41
Topological Polar Surface Area	93.21
Polarizability	41.92
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H15ClN4O3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00