3-(3-chlorobenzamido)-4-{4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-(3-chlorobenzamido)-4-{4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
3-(3-chlorobenzamido)-4-{4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F086-0664 |
| Compound Name: | 3-(3-chlorobenzamido)-4-{4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 587 |
| Molecular Formula: | C24 H29 Cl N4 O4 |
| Salt: | CF3COOH |
| Smiles: | CCN(CC)C(CN1CCN(CC1)c1ccc(cc1NC(c1cccc(c1)[Cl])=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6324 |
| logD: | 1.738 |
| logSw: | -3.9614 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.408 |
| InChI Key: | CCPJEHCFZIMYRV-UHFFFAOYSA-N |