5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-(3-chlorobenzamido)benzoic acid
Chemical Structure Depiction of
5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-(3-chlorobenzamido)benzoic acid
5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-(3-chlorobenzamido)benzoic acid
Compound characteristics
| Compound ID: | F687-0993 |
| Compound Name: | 5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-(3-chlorobenzamido)benzoic acid |
| Molecular Weight: | 499.01 |
| Molecular Formula: | C26 H31 Cl N4 O4 |
| Smiles: | C1CCCN(CC1)C(CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NC(c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5614 |
| logD: | -0.5548 |
| logSw: | -3.8991 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.756 |
| InChI Key: | VITDZCDJDVVAPO-UHFFFAOYSA-N |