5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1)
5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-1252 |
| Compound Name: | 5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 578.07 |
| Molecular Formula: | C18 H30 Cl N5 O3 S2 |
| Salt: | CF3COOH |
| Smiles: | CN1CCN(CC1)CCN(CCC(N1CCNCC1)=O)S(c1ccc(s1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0339 |
| logD: | -0.8619 |
| logSw: | -2.6363 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.13 |
| InChI Key: | VGRWBQBGDIWLCK-UHFFFAOYSA-N |