2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | J079-0812 |
| Compound Name: | 2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 451.59 |
| Molecular Formula: | C25 H29 N3 O3 S |
| Smiles: | CCc1ccc2c(c1)C(CN1CCN(CC1)CC(Nc1cccc(c1)SC)=O)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.9939 |
| logD: | 3.9326 |
| logSw: | -4.0487 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.068 |
| InChI Key: | NGTSRFJHFKEKPL-UHFFFAOYSA-N |