4-({4-[(adamantan-1-yl)acetyl]piperazin-1-yl}methyl)-6-ethoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-({4-[(adamantan-1-yl)acetyl]piperazin-1-yl}methyl)-6-ethoxy-2H-1-benzopyran-2-one
4-({4-[(adamantan-1-yl)acetyl]piperazin-1-yl}methyl)-6-ethoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D222-0056 |
| Compound Name: | 4-({4-[(adamantan-1-yl)acetyl]piperazin-1-yl}methyl)-6-ethoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 464.61 |
| Molecular Formula: | C28 H36 N2 O4 |
| Smiles: | CCOc1ccc2c(c1)C(CN1CCN(CC1)C(CC13CC4CC(CC(C4)C3)C1)=O)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.5464 |
| logD: | 4.545 |
| logSw: | -4.3578 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.464 |
| InChI Key: | XBCKKROCDHFWJR-UHFFFAOYSA-N |