3-[5-(4-tert-butylphenoxymethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)urea

3-[5-(4-tert-butylphenoxymethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)urea

Formula: C21H24N4O3S

SMILES: COC1=CC=CC=C1NC(=O)NC1=NN=C(COC2=CC=C(C=C2)C(C)(C)C)S1

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

InChI: InChI=1S/C21H24N4O3S/c1-21(2,3)14-9-11-15(12-10-14)28-13-18-24-25-20(29-18)23-19(26)22-16-7-5-6-8-17(16)27-4/h5-12H,13H2,1-4H3,(H2,22,23,25,26)

Composition: C (61.15%), H (5.86%), N (13.58%), O (11.64%), S (7.77%)

Molar Mass: 412.51

Atom Count: 53

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	412.156911823
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	CVIGCJYPFQNHGO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	116.39
Topological Polar Surface Area	85.37
Polarizability	42.95
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H24N4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00