2-(3-chlorobenzamido)-5-(4-{2-[(2-methylpropyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid
Chemical Structure Depiction of
2-(3-chlorobenzamido)-5-(4-{2-[(2-methylpropyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid
2-(3-chlorobenzamido)-5-(4-{2-[(2-methylpropyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid
Compound characteristics
| Compound ID: | F687-0991 |
| Compound Name: | 2-(3-chlorobenzamido)-5-(4-{2-[(2-methylpropyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid |
| Molecular Weight: | 472.97 |
| Molecular Formula: | C24 H29 Cl N4 O4 |
| Smiles: | CC(C)CNC(CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NC(c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6421 |
| logD: | -0.4741 |
| logSw: | -3.9502 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.776 |
| InChI Key: | KVUNGVTZBAAOFM-UHFFFAOYSA-N |