3-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(3,4-dichlorophenyl)urea

3-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(3,4-dichlorophenyl)urea

Formula: C16H10Cl2N4O3S

SMILES: ClC1=CC=C(NC(=O)NC2=NN=C(S2)C2=CC=C3OCOC3=C2)C=C1Cl

IUPAC: 3-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(3,4-dichlorophenyl)urea

InChI: InChI=1S/C16H10Cl2N4O3S/c17-10-3-2-9(6-11(10)18)19-15(23)20-16-22-21-14(26-16)8-1-4-12-13(5-8)25-7-24-12/h1-6H,7H2,(H2,19,20,22,23)

Composition: C (46.96%), H (2.46%), Cl (17.32%), N (13.69%), O (11.73%), S (7.83%)

Molar Mass: 409.24

Atom Count: 36

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	407.9850668
Formal Charge	0
FSP3	0.06
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	LGWCOHYPQGHPNV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	111.34
Topological Polar Surface Area	85.37
Polarizability	37.68
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H10Cl2N4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00