N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
Chemical Structure Depiction of
N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
Compound characteristics
| Compound ID: | C533-1428 |
| Compound Name: | N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide |
| Molecular Weight: | 425.57 |
| Molecular Formula: | C25 H35 N3 O3 |
| Smiles: | CC1=C(C(NCCN2CCN(CC2)c2cccc(C)c2C)=O)C2(CCCCC2)OC1=O |
| Stereo: | ACHIRAL |
| logP: | 3.8295 |
| logD: | 2.799 |
| logSw: | -3.8971 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.261 |
| InChI Key: | AEMWCXOAFDZXRX-UHFFFAOYSA-N |