6-ethyl-4-[(4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}piperazin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-ethyl-4-[(4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}piperazin-1-yl)methyl]-2H-1-benzopyran-2-one
6-ethyl-4-[(4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}piperazin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | J079-0937 |
| Compound Name: | 6-ethyl-4-[(4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}piperazin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 492.59 |
| Molecular Formula: | C28 H33 F N4 O3 |
| Smiles: | CCc1ccc2c(c1)C(CN1CCN(CC1)CC(N1CCN(CC1)c1ccccc1F)=O)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 2.8381 |
| logD: | 2.7768 |
| logSw: | -3.4508 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.271 |
| InChI Key: | GXLOBELRXNITGJ-UHFFFAOYSA-N |