4-({4-[(adamantan-1-yl)acetyl]piperazin-1-yl}methyl)-7-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-({4-[(adamantan-1-yl)acetyl]piperazin-1-yl}methyl)-7-methyl-2H-1-benzopyran-2-one
4-({4-[(adamantan-1-yl)acetyl]piperazin-1-yl}methyl)-7-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D222-0105 |
| Compound Name: | 4-({4-[(adamantan-1-yl)acetyl]piperazin-1-yl}methyl)-7-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 434.58 |
| Molecular Formula: | C27 H34 N2 O3 |
| Smiles: | Cc1ccc2C(CN3CCN(CC3)C(CC34CC5CC(CC(C5)C4)C3)=O)=CC(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 4.6554 |
| logD: | 4.6527 |
| logSw: | -4.421 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.34 |
| InChI Key: | HDETUAIGWKFFGG-UHFFFAOYSA-N |