ethyl 4-{2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}benzoate

ethyl 4-{2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}benzoate

Formula: C18H24N4O3S

SMILES: CCCCC1=NN=C(N1)SC(C)C(=O)NC1=CC=C(C=C1)C(=O)OCC

IUPAC: ethyl 4-{2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}benzoate

InChI: InChI=1/C18H24N4O3S/c1-4-6-7-15-20-18(22-21-15)26-12(3)16(23)19-14-10-8-13(9-11-14)17(24)25-5-2/h8-12H,4-7H2,1-3H3,(H,19,23)(H,20,21,22)

Composition: C (57.43%), H (6.43%), N (14.88%), O (12.75%), S (8.52%)

Molar Mass: 376.48

Atom Count: 50

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	376.156911823
Formal Charge	0
FSP3	0.44
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	PIIDVSXJEUCITQ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	105.51
Topological Polar Surface Area	96.97
Polarizability	39.23
Ring Count	2
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H24N4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00