Metabolite Genz-527862
- Name
- Genz-527862
- Description
- Not Available
- Structure
Structure for Genz-527862
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 418.534
Monoisotopic: 418.246772203 - Chemical Formula
- C23H34N2O5
- InChI Key
- IVPZRMDNWWMCEW-AUSIDOKSSA-N
- InChI
- InChI=1S/C23H34N2O5/c1-2-18(26)7-3-4-8-22(27)24-19(16-25-11-5-6-12-25)23(28)17-9-10-20-21(15-17)30-14-13-29-20/h9-10,15,19,23,28H,2-8,11-14,16H2,1H3,(H,24,27)/t19-,23-/m1/s1
- IUPAC Name
- N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-(pyrrolidin-1-yl)propan-2-yl]-6-oxooctanamide
- SMILES
- CCC(=O)CCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)C1=CC=C2OCCOC2=C1
- Reactions
- External Links
- Not Available
- Predicted Properties
Property Value Source logP 2.03 Chemaxon pKa (Strongest Acidic) 13.44 Chemaxon pKa (Strongest Basic) 8.09 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 88.1 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 114.4 m3·mol-1 Chemaxon Polarizability 46.66 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon