1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]-4-methylpiperidine
Chemical Structure Depiction of
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]-4-methylpiperidine
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]-4-methylpiperidine
Compound characteristics
Compound ID: | C437-0180 |
Compound Name: | 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]-4-methylpiperidine |
Molecular Weight: | 361.36 |
Molecular Formula: | C16 H19 N5 O5 |
Smiles: | CC1CCN(CC1)c1c(nn(c2ccc3c(c2)OCCO3)[n+]1[O-])[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 2.0956 |
logD: | 2.0956 |
logSw: | -2.5025 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 85.58 |
InChI Key: | TUMKDYXUZZFQNH-UHFFFAOYSA-N |