2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide

2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide

Formula: C18H21N5O2S2

SMILES: CCCCC1=NN=C(N1)SCC(=O)NC1=NC(=CS1)C1=CC=C(OC)C=C1

IUPAC: 2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide

InChI: InChI=1S/C18H21N5O2S2/c1-3-4-5-15-20-18(23-22-15)27-11-16(24)21-17-19-14(10-26-17)12-6-8-13(25-2)9-7-12/h6-10H,3-5,11H2,1-2H3,(H,19,21,24)(H,20,22,23)

Composition: C (53.58%), H (5.25%), N (17.36%), O (7.93%), S (15.89%)

Molar Mass: 403.52

Atom Count: 48

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	403.113667284
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	DAPKZZJHZCFXDH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.15
Topological Polar Surface Area	92.79
Polarizability	42.35
Ring Count	3
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H21N5O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00