2-[(cyclopentanecarbonyl)amino]-5-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid
Chemical Structure Depiction of
2-[(cyclopentanecarbonyl)amino]-5-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid
2-[(cyclopentanecarbonyl)amino]-5-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid
Compound characteristics
| Compound ID: | F687-1378 |
| Compound Name: | 2-[(cyclopentanecarbonyl)amino]-5-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid |
| Molecular Weight: | 468.53 |
| Molecular Formula: | C25 H29 F N4 O4 |
| Smiles: | C1CCC(C1)C(Nc1ccc(cc1C(O)=O)N1CCN(CC1)CC(Nc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8102 |
| logD: | 0.1072 |
| logSw: | -3.8776 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.74 |
| InChI Key: | MCNSAMBYQZSEEI-UHFFFAOYSA-N |