N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-3-methyl-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide
Chemical Structure Depiction of
N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-3-methyl-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide
N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-3-methyl-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide
Compound characteristics
| Compound ID: | E686-0370 |
| Compound Name: | N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-3-methyl-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide |
| Molecular Weight: | 460.02 |
| Molecular Formula: | C25 H34 Cl N3 O3 |
| Smiles: | CC1=C(C(NCCN2CCN(CC2)c2cc(ccc2C)[Cl])=O)C2(CCCCCC2)OC1=O |
| Stereo: | ACHIRAL |
| logP: | 4.4845 |
| logD: | 3.4539 |
| logSw: | -4.558 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.592 |
| InChI Key: | BOKQKBWJSFAMMW-UHFFFAOYSA-N |