N-[5-(4-tert-butylphenoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide

N-[5-(4-tert-butylphenoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide

Formula: C21H23N3O3S

SMILES: COC1=CC=C(C=C1)C(=O)NC1=NN=C(COC2=CC=C(C=C2)C(C)(C)C)S1

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

InChI: InChI=1S/C21H23N3O3S/c1-21(2,3)15-7-11-17(12-8-15)27-13-18-23-24-20(28-18)22-19(25)14-5-9-16(26-4)10-6-14/h5-12H,13H2,1-4H3,(H,22,24,25)

Composition: C (63.46%), H (5.83%), N (10.57%), O (12.07%), S (8.07%)

Molar Mass: 397.49

Atom Count: 51

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	397.146012787
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	BOZMEFGUECAFCA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	111.93
Topological Polar Surface Area	73.34
Polarizability	41.79
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H23N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00