N-(2-methylpropyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzenesulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-(2-methylpropyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzenesulfonamide--trifluoroacetic acid (1/1)
N-(2-methylpropyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzenesulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0632 |
| Compound Name: | N-(2-methylpropyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzenesulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 453.48 |
| Molecular Formula: | C16 H25 N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)CN(CC(N1CCNCC1)=O)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.969 |
| logD: | 0.4095 |
| logSw: | -2.3264 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.967 |
| InChI Key: | SIMFMAUBNJPUMW-UHFFFAOYSA-N |