2,5-dimethyl-N-[(oxolan-2-yl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2,5-dimethyl-N-[(oxolan-2-yl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
2,5-dimethyl-N-[(oxolan-2-yl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0509 |
| Compound Name: | 2,5-dimethyl-N-[(oxolan-2-yl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 523.57 |
| Molecular Formula: | C20 H31 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(C)c(c1)S(N(CCC(N1CCNCC1)=O)CC1CCCO1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9503 |
| logD: | 0.1223 |
| logSw: | -2.2975 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.328 |
| InChI Key: | MWNWUBYLRXGUMI-GOSISDBHSA-N |