voriconazole

voriconazole

CAS: 188416-29-7

Formula: C16H14F3N5O

SMILES: C[C@@H](C1=NC=NC=C1F)[C@](O)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1

IUPAC: (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol

InChI: InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16-/m0/s1

Composition: C (55.01%), H (4.04%), F (16.32%), N (20.05%), O (4.58%)

Molar Mass: 349.317

Atom Count: 39

Heavy Atom Count: 25

Properties

Properties

Common Names	VCZ; vfend; voriconazole
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	349.11504458
Formal Charge	0
FSP3	0.25
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	BCEHBSKCWLPMDN-MGPLVRAMSA-N
Lipinski's Rule of Five	1
Molar Refractivity	95.28
Topological Polar Surface Area	76.72
Polarizability	30.73
Ring Count	3
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	188416-29-7		$152.41-$357.17$152.41$357.17