6-ethoxy-4-({4-[(3-methylphenyl)methyl]piperazin-1-yl}methyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-ethoxy-4-({4-[(3-methylphenyl)methyl]piperazin-1-yl}methyl)-2H-1-benzopyran-2-one
6-ethoxy-4-({4-[(3-methylphenyl)methyl]piperazin-1-yl}methyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | J079-0503 |
| Compound Name: | 6-ethoxy-4-({4-[(3-methylphenyl)methyl]piperazin-1-yl}methyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 392.5 |
| Molecular Formula: | C24 H28 N2 O3 |
| Smiles: | CCOc1ccc2c(c1)C(CN1CCN(CC1)Cc1cccc(C)c1)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.6719 |
| logD: | 3.1035 |
| logSw: | -3.8058 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 35.042 |
| InChI Key: | KOXPSFDKHWGCCB-UHFFFAOYSA-N |