4-({4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl}methyl)-6-ethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-({4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl}methyl)-6-ethyl-2H-1-benzopyran-2-one
4-({4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl}methyl)-6-ethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | J079-0828 |
| Compound Name: | 4-({4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl}methyl)-6-ethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 414.91 |
| Molecular Formula: | C23 H24 Cl F N2 O2 |
| Smiles: | CCc1ccc2c(c1)C(CN1CCN(CC1)Cc1c(cccc1[Cl])F)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.1005 |
| logD: | 4.0146 |
| logSw: | -4.5387 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 27.9187 |
| InChI Key: | LGVFDQSSBRUMJZ-UHFFFAOYSA-N |