6-ethyl-4-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-ethyl-4-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
6-ethyl-4-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | J079-0707 |
| Compound Name: | 6-ethyl-4-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 350.42 |
| Molecular Formula: | C20 H22 N4 O2 |
| Smiles: | CCc1ccc2c(c1)C(CN1CCN(CC1)c1ncccn1)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 2.9547 |
| logD: | 2.9082 |
| logSw: | -3.2762 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.001 |
| InChI Key: | YYBHITKTXHBICC-UHFFFAOYSA-N |