ethyl 1-{4-(piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzoyl}piperidine-3-carboxylate--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
ethyl 1-{4-(piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzoyl}piperidine-3-carboxylate--trifluoroacetic acid (1/1)
ethyl 1-{4-(piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzoyl}piperidine-3-carboxylate--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0274 |
| Compound Name: | ethyl 1-{4-(piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzoyl}piperidine-3-carboxylate--trifluoroacetic acid (1/1) |
| Molecular Weight: | 620.67 |
| Molecular Formula: | C23 H30 N4 O5 S2 |
| Salt: | CF3COOH |
| Smiles: | CCOC(C1CCCN(C1)C(c1ccc(c(c1)NS(c1cccs1)(=O)=O)N1CCNCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9645 |
| logD: | 1.9645 |
| logSw: | -2.8746 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.656 |
| InChI Key: | VIODGJGBPDFUGU-SFHVURJKSA-N |