3-[(ethanesulfonyl)amino]-4-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(ethanesulfonyl)amino]-4-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
3-[(ethanesulfonyl)amino]-4-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0568 |
| Compound Name: | 3-[(ethanesulfonyl)amino]-4-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 607.6 |
| Molecular Formula: | C23 H31 N3 O7 S |
| Salt: | CF3COOH |
| Smiles: | CCS(Nc1cc(ccc1N1CCN(CC1)Cc1ccc(c(c1OC)OC)OC)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1575 |
| logD: | 3.1575 |
| logSw: | -3.4233 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.254 |
| InChI Key: | CWXGTUANBANPCS-UHFFFAOYSA-N |