N-[(2-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(2-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1)
N-[(2-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0042 |
| Compound Name: | N-[(2-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 537.58 |
| Molecular Formula: | C19 H25 N3 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | COc1ccccc1CN(CCC(N1CCNCC1)=O)S(c1cccs1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3071 |
| logD: | 0.4791 |
| logSw: | -2.2676 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.323 |
| InChI Key: | LTBCPWCNIVSCIN-UHFFFAOYSA-N |