2-(2,2-dimethylpropanamido)-5-{4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid
Chemical Structure Depiction of
2-(2,2-dimethylpropanamido)-5-{4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid
2-(2,2-dimethylpropanamido)-5-{4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid
Compound characteristics
| Compound ID: | F687-0647 |
| Compound Name: | 2-(2,2-dimethylpropanamido)-5-{4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid |
| Molecular Weight: | 452.55 |
| Molecular Formula: | C25 H32 N4 O4 |
| Smiles: | Cc1cccc(c1)NC(CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NC(C(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8624 |
| logD: | 0.1593 |
| logSw: | -3.8093 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.454 |
| InChI Key: | GFJLJAKACBFRGU-UHFFFAOYSA-N |