Fenticonazole nitrateProduct ingredient for Fenticonazole

Name
Fenticonazole nitrate
Drug Entry
Fenticonazole
Accession Number
DBSALT002998
Structure
Synonyms
Fenticonazole nitrate
External IDs
REC 15/1476 / TX 15338
UNII
8V4JGC8YRF
CAS Number
73151-29-8
Weight
Average: 518.41
Monoisotopic: 517.0629827
Chemical Formula
C24H21Cl2N3O4S
InChI Key
FJNRUWDGCVDXLU-UHFFFAOYSA-N
InChI
InChI=1S/C24H20Cl2N2OS.HNO3/c25-19-8-11-22(23(26)14-19)24(15-28-13-12-27-17-28)29-16-18-6-9-21(10-7-18)30-20-4-2-1-3-5-20;2-1(3)4/h1-14,17,24H,15-16H2;(H,2,3,4)
IUPAC Name
1-[2-(2,4-dichlorophenyl)-2-{[4-(phenylsulfanyl)phenyl]methoxy}ethyl]-1H-imidazole; nitric acid
SMILES
O[N+]([O-])=O.ClC1=CC(Cl)=C(C=C1)C(CN1C=CN=C1)OCC1=CC=C(SC2=CC=CC=C2)C=C1
ChemSpider
46839
ChEBI
83606
ChEMBL
CHEMBL2107703
Predicted Properties
PropertyValueSource
Water Solubility0.000304 mg/mLALOGPS
logP6.31ALOGPS
logP6.94Chemaxon
logS-6.2ALOGPS
pKa (Strongest Basic)6.48Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area27.05 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity126.14 m3·mol-1Chemaxon
Polarizability47.68 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleYesChemaxon