4-bromo-N-(2-phenylpropyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-bromo-N-(2-phenylpropyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
4-bromo-N-(2-phenylpropyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L126-0525 |
| Compound Name: | 4-bromo-N-(2-phenylpropyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 608.47 |
| Molecular Formula: | C22 H28 Br N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | CC(CN(CCS(N1CCNCC1)(=O)=O)C(c1ccc(cc1)[Br])=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1777 |
| logD: | 2.833 |
| logSw: | -3.3854 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.994 |
| InChI Key: | BEWFUBGYYVTBSY-SFHVURJKSA-N |