2-(2-methylbenzamido)-5-[4-(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)piperazin-1-yl]benzoic acid
Chemical Structure Depiction of
2-(2-methylbenzamido)-5-[4-(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)piperazin-1-yl]benzoic acid
2-(2-methylbenzamido)-5-[4-(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)piperazin-1-yl]benzoic acid
Compound characteristics
| Compound ID: | F687-0309 |
| Compound Name: | 2-(2-methylbenzamido)-5-[4-(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)piperazin-1-yl]benzoic acid |
| Molecular Weight: | 492.6 |
| Molecular Formula: | C26 H28 N4 O4 S |
| Smiles: | Cc1ccccc1C(Nc1ccc(cc1C(O)=O)N1CCN(CC1)CC(NCc1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6831 |
| logD: | -0.4331 |
| logSw: | -3.8691 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.523 |
| InChI Key: | ONHVPMZEWJDVPO-UHFFFAOYSA-N |