1-(3,4-dichlorophenyl)-3-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}urea

1-(3,4-dichlorophenyl)-3-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}urea

Formula: C17H14Cl2N4O2S

SMILES: COC1=CC=C(CC2=NN=C(NC(=O)NC3=CC=C(Cl)C(Cl)=C3)S2)C=C1

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

InChI: InChI=1S/C17H14Cl2N4O2S/c1-25-12-5-2-10(3-6-12)8-15-22-23-17(26-15)21-16(24)20-11-4-7-13(18)14(19)9-11/h2-7,9H,8H2,1H3,(H2,20,21,23,24)

Composition: C (49.89%), H (3.45%), Cl (17.32%), N (13.69%), O (7.82%), S (7.83%)

Molar Mass: 409.29

Atom Count: 40

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	408.0214523
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	KFXRAXUEYNNYEG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.09
Topological Polar Surface Area	76.14
Polarizability	38.76
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H14Cl2N4O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00