1-(4-chlorophenyl)-3-[5-(3,4-dimethylphenoxymethyl)-1,3,4-thiadiazol-2-yl]urea

1-(4-chlorophenyl)-3-[5-(3,4-dimethylphenoxymethyl)-1,3,4-thiadiazol-2-yl]urea

Formula: C18H17ClN4O2S

SMILES: CC1=CC=C(OCC2=NN=C(NC(=O)NC3=CC=C(Cl)C=C3)S2)C=C1C

IUPAC: 1-(4-chlorophenyl)-3-{5-[(3,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea

InChI: InChI=1S/C18H17ClN4O2S/c1-11-3-8-15(9-12(11)2)25-10-16-22-23-18(26-16)21-17(24)20-14-6-4-13(19)5-7-14/h3-9H,10H2,1-2H3,(H2,20,21,23,24)

Composition: C (55.60%), H (4.41%), Cl (9.12%), N (14.41%), O (8.23%), S (8.24%)

Molar Mass: 388.87

Atom Count: 43

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	388.0760747
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	APVVKEIOQDKWOW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.15
Topological Polar Surface Area	76.14
Polarizability	38.57
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H17ClN4O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00