4-({4-[(4-chlorophenyl)methyl]piperazin-1-yl}methyl)-6-ethoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-({4-[(4-chlorophenyl)methyl]piperazin-1-yl}methyl)-6-ethoxy-2H-1-benzopyran-2-one
4-({4-[(4-chlorophenyl)methyl]piperazin-1-yl}methyl)-6-ethoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | J079-0509 |
| Compound Name: | 4-({4-[(4-chlorophenyl)methyl]piperazin-1-yl}methyl)-6-ethoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 412.92 |
| Molecular Formula: | C23 H25 Cl N2 O3 |
| Smiles: | CCOc1ccc2c(c1)C(CN1CCN(CC1)Cc1ccc(cc1)[Cl])=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.6201 |
| logD: | 3.4837 |
| logSw: | -4.0027 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 35.042 |
| InChI Key: | GFCOOTQLNPFQOT-UHFFFAOYSA-N |