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

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

Formula: C15H18N4O3S

SMILES: CCOC(=O)C1=CC=C(NC(=O)C(C)SC2=NNC(C)=N2)C=C1

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

InChI: InChI=1/C15H18N4O3S/c1-4-22-14(21)11-5-7-12(8-6-11)17-13(20)9(2)23-15-16-10(3)18-19-15/h5-9H,4H2,1-3H3,(H,17,20)(H,16,18,19)

Composition: C (53.88%), H (5.43%), N (16.76%), O (14.35%), S (9.59%)

Molar Mass: 334.39

Atom Count: 41

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	334.10996163
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	XCJLJHDWECEAJC-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.84
Topological Polar Surface Area	96.97
Polarizability	33.72
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C15H18N4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00