{1-[(2-methylphenyl)methanesulfonyl]piperidin-4-yl}[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]methanone
Chemical Structure Depiction of
{1-[(2-methylphenyl)methanesulfonyl]piperidin-4-yl}[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]methanone
{1-[(2-methylphenyl)methanesulfonyl]piperidin-4-yl}[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | D356-0678 |
| Compound Name: | {1-[(2-methylphenyl)methanesulfonyl]piperidin-4-yl}[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]methanone |
| Molecular Weight: | 481.66 |
| Molecular Formula: | C27 H35 N3 O3 S |
| Smiles: | Cc1ccccc1CS(N1CCC(CC1)C(N1CCN(CC1)C/C=C/c1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0614 |
| logD: | 4.0554 |
| logSw: | -3.9851 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.011 |
| InChI Key: | YKQOPPQVQBARKZ-UHFFFAOYSA-N |