alvelestat

alvelestat

CAS: 848141-11-7

Formula: C25H22F3N5O4S

SMILES: CN1N=CC=C1C1=C(C)N(C2=CC=CC(=C2)C(F)(F)F)C(=O)C(=C1)C(=O)NCC1=NC=C(C=C1)S(C)(=O)=O

IUPAC: N-[(5-methanesulfonylpyridin-2-yl)methyl]-6-methyl-5-(1-methyl-1H-pyrazol-5-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamide

InChI: InChI=1S/C25H22F3N5O4S/c1-15-20(22-9-10-31-32(22)2)12-21(23(34)30-13-17-7-8-19(14-29-17)38(3,36)37)24(35)33(15)18-6-4-5-16(11-18)25(26,27)28/h4-12,14H,13H2,1-3H3,(H,30,34)

Composition: C (55.04%), H (4.06%), F (10.45%), N (12.84%), O (11.73%), S (5.88%)

Molar Mass: 545.54

Atom Count: 60

Heavy Atom Count: 38

Properties

Properties

Common Names	alvelestat
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	545.134459871
Formal Charge	0
FSP3	0.2
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	QNQZWEGMKJBHEM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	146.4
Topological Polar Surface Area	114.26
Polarizability	50.26
Ring Count	4
Rotatable Bond Count	7

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.41%	<7 Days	848141-11-7		$33.66-$462.83$33.66$72.00$102.85$308.55$462.83