6-ethyl-4-({4-[2-oxo-2-(piperidin-1-yl)ethyl]piperazin-1-yl}methyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-ethyl-4-({4-[2-oxo-2-(piperidin-1-yl)ethyl]piperazin-1-yl}methyl)-2H-1-benzopyran-2-one
6-ethyl-4-({4-[2-oxo-2-(piperidin-1-yl)ethyl]piperazin-1-yl}methyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | J079-0924 |
| Compound Name: | 6-ethyl-4-({4-[2-oxo-2-(piperidin-1-yl)ethyl]piperazin-1-yl}methyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 397.52 |
| Molecular Formula: | C23 H31 N3 O3 |
| Smiles: | CCc1ccc2c(c1)C(CN1CCN(CC1)CC(N1CCCCC1)=O)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 2.0243 |
| logD: | 1.963 |
| logSw: | -2.8414 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 44.311 |
| InChI Key: | YTAIGSXMUGFIHB-UHFFFAOYSA-N |