N-[(4-bromophenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(4-bromophenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1)
N-[(4-bromophenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0888 |
| Compound Name: | N-[(4-bromophenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 572.42 |
| Molecular Formula: | C17 H20 Br N3 O3 S2 |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCN1)C(CN(Cc1ccc(cc1)[Br])S(c1cccs1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8713 |
| logD: | 1.3118 |
| logSw: | -2.5304 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.714 |
| InChI Key: | OFMJGFTVUXIEIC-UHFFFAOYSA-N |