{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}{1-[(4-chlorophenyl)methanesulfonyl]piperidin-3-yl}methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}{1-[(4-chlorophenyl)methanesulfonyl]piperidin-3-yl}methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}{1-[(4-chlorophenyl)methanesulfonyl]piperidin-3-yl}methanone
Compound characteristics
| Compound ID: | J009-1767 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}{1-[(4-chlorophenyl)methanesulfonyl]piperidin-3-yl}methanone |
| Molecular Weight: | 520.05 |
| Molecular Formula: | C25 H30 Cl N3 O5 S |
| Smiles: | C1CC(CN(C1)S(Cc1ccc(cc1)[Cl])(=O)=O)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6111 |
| logD: | 2.1428 |
| logSw: | -3.1335 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.081 |
| InChI Key: | KVUQMEWVDFNNTQ-NRFANRHFSA-N |