5-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)-2-(2-phenoxyacetamido)benzoic acid
Chemical Structure Depiction of
5-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)-2-(2-phenoxyacetamido)benzoic acid
5-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)-2-(2-phenoxyacetamido)benzoic acid
Compound characteristics
| Compound ID: | F687-1019 |
| Compound Name: | 5-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)-2-(2-phenoxyacetamido)benzoic acid |
| Molecular Weight: | 454.53 |
| Molecular Formula: | C24 H30 N4 O5 |
| Smiles: | CC(C)NC(CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NC(COc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3816 |
| logD: | -1.3215 |
| logSw: | -3.0789 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.036 |
| InChI Key: | JRFHCMXLPSNIDJ-UHFFFAOYSA-N |