N-(3-methylbutyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-(3-methylbutyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1)
N-(3-methylbutyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0292 |
| Compound Name: | N-(3-methylbutyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 473.53 |
| Molecular Formula: | C15 H25 N3 O3 S2 |
| Salt: | CF3COOH |
| Smiles: | CC(C)CCN(CC(N1CCNCC1)=O)S(c1cccs1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1652 |
| logD: | 0.6057 |
| logSw: | -2.284 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.964 |
| InChI Key: | HPPCUKOWALPHEJ-UHFFFAOYSA-N |