N-butyl-5-chloro-N-[3-oxo-3-(piperazin-1-yl)propyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-butyl-5-chloro-N-[3-oxo-3-(piperazin-1-yl)propyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1)
N-butyl-5-chloro-N-[3-oxo-3-(piperazin-1-yl)propyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-1059 |
| Compound Name: | N-butyl-5-chloro-N-[3-oxo-3-(piperazin-1-yl)propyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 507.98 |
| Molecular Formula: | C15 H24 Cl N3 O3 S2 |
| Salt: | CF3COOH |
| Smiles: | CCCCN(CCC(N1CCNCC1)=O)S(c1ccc(s1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7681 |
| logD: | 0.9402 |
| logSw: | -2.8136 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.942 |
| InChI Key: | IHZUYTPPGWBYBB-UHFFFAOYSA-N |