ethyl N-{3-[(benzenesulfonyl)amino]-4-(piperazin-1-yl)benzoyl}-N-methylglycinate--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
ethyl N-{3-[(benzenesulfonyl)amino]-4-(piperazin-1-yl)benzoyl}-N-methylglycinate--trifluoroacetic acid (1/1)
ethyl N-{3-[(benzenesulfonyl)amino]-4-(piperazin-1-yl)benzoyl}-N-methylglycinate--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0082 |
| Compound Name: | ethyl N-{3-[(benzenesulfonyl)amino]-4-(piperazin-1-yl)benzoyl}-N-methylglycinate--trifluoroacetic acid (1/1) |
| Molecular Weight: | 574.58 |
| Molecular Formula: | C22 H28 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCOC(CN(C)C(c1ccc(c(c1)NS(c1ccccc1)(=O)=O)N1CCNCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.361 |
| logD: | 1.361 |
| logSw: | -2.7047 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.883 |
| InChI Key: | PHYGGTUOUBNJGJ-UHFFFAOYSA-N |