N-(3-methylbutyl)-4-(2-methylpropyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-(3-methylbutyl)-4-(2-methylpropyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-(3-methylbutyl)-4-(2-methylpropyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0298 |
| Compound Name: | N-(3-methylbutyl)-4-(2-methylpropyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 523.61 |
| Molecular Formula: | C21 H35 N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)CCN(CC(N1CCNCC1)=O)S(c1ccc(CC(C)C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2392 |
| logD: | 2.6797 |
| logSw: | -3.5986 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.945 |
| InChI Key: | RIQKORPFOFKOFF-UHFFFAOYSA-N |