N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
Chemical Structure Depiction of
N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
Compound characteristics
| Compound ID: | E686-0377 |
| Compound Name: | N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide |
| Molecular Weight: | 439.6 |
| Molecular Formula: | C26 H37 N3 O3 |
| Smiles: | CC1=C(C(NCCCN2CCN(CC2)c2cc(C)ccc2C)=O)C2(CCCCC2)OC1=O |
| Stereo: | ACHIRAL |
| logP: | 3.9871 |
| logD: | 2.8405 |
| logSw: | -4.0164 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.261 |
| InChI Key: | WTWBJEPDKWVXQR-UHFFFAOYSA-N |