N-(2H-1,3-benzodioxol-5-yl)-2-(3-methylphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-(3-methylphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-2-(3-methylphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
Compound characteristics
| Compound ID: | G651-0285 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-(3-methylphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxamide |
| Molecular Weight: | 406.44 |
| Molecular Formula: | C22 H22 N4 O4 |
| Smiles: | Cc1cccc(c1)C1C(NC2(CCN(CC2)C(Nc2ccc3c(c2)OCO3)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6204 |
| logD: | 2.6195 |
| logSw: | -3.0098 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.174 |
| InChI Key: | BNNHLUCKVNMVBO-UHFFFAOYSA-N |