N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
Chemical Structure Depiction of
N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
Compound characteristics
| Compound ID: | C533-1124 |
| Compound Name: | N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide |
| Molecular Weight: | 460.02 |
| Molecular Formula: | C25 H34 Cl N3 O3 |
| Smiles: | CC1CCC2(CC1)C(=C(C)C(=O)O2)C(NCCN1CCN(CC1)c1cc(ccc1C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5289 |
| logD: | 3.4984 |
| logSw: | -4.5944 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.261 |
| InChI Key: | PVCMQQXFAGEAPG-UHFFFAOYSA-N |