2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-N-(4-fluorophenyl)-N-methylacetamide
Chemical Structure Depiction of
2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-N-(4-fluorophenyl)-N-methylacetamide
2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-N-(4-fluorophenyl)-N-methylacetamide
Compound characteristics
| Compound ID: | J079-0860 |
| Compound Name: | 2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-N-(4-fluorophenyl)-N-methylacetamide |
| Molecular Weight: | 437.51 |
| Molecular Formula: | C25 H28 F N3 O3 |
| Smiles: | CCc1ccc2c(c1)C(CN1CCN(CC1)CC(N(C)c1ccc(cc1)F)=O)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 2.4217 |
| logD: | 2.3605 |
| logSw: | -3.0754 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.032 |
| InChI Key: | NXOHDMTUWSJDLN-UHFFFAOYSA-N |