4-({4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl}methyl)-6-ethoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-({4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl}methyl)-6-ethoxy-2H-1-benzopyran-2-one
4-({4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl}methyl)-6-ethoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | J079-0518 |
| Compound Name: | 4-({4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl}methyl)-6-ethoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 430.91 |
| Molecular Formula: | C23 H24 Cl F N2 O3 |
| Smiles: | CCOc1ccc2c(c1)C(CN1CCN(CC1)Cc1ccc(cc1[Cl])F)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.9042 |
| logD: | 3.8443 |
| logSw: | -4.3587 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 35.042 |
| InChI Key: | RWGICQVVLVXCMT-UHFFFAOYSA-N |