N-[(4-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1)
N-[(4-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0260 |
| Compound Name: | N-[(4-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 521.58 |
| Molecular Formula: | C19 H25 N3 O3 S2 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(CN(CCC(N2CCNCC2)=O)S(c2cccs2)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.6465 |
| logD: | 0.8185 |
| logSw: | -2.4215 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.692 |
| InChI Key: | SVJMFJGBPUQRIV-UHFFFAOYSA-N |