2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-N-(3-ethylphenyl)acetamide
Chemical Structure Depiction of
2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-N-(3-ethylphenyl)acetamide
2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-N-(3-ethylphenyl)acetamide
Compound characteristics
| Compound ID: | J079-0808 |
| Compound Name: | 2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-N-(3-ethylphenyl)acetamide |
| Molecular Weight: | 433.55 |
| Molecular Formula: | C26 H31 N3 O3 |
| Smiles: | CCc1cccc(c1)NC(CN1CCN(CC1)CC1=CC(=O)Oc2ccc(CC)cc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3234 |
| logD: | 4.2622 |
| logSw: | -4.1746 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.068 |
| InChI Key: | PPYUHTOKNUTDRQ-UHFFFAOYSA-N |