4-(2-methylpropyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-pentylbenzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-(2-methylpropyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-pentylbenzene-1-sulfonamide--trifluoroacetic acid (1/1)
4-(2-methylpropyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-pentylbenzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0386 |
| Compound Name: | 4-(2-methylpropyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-pentylbenzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 523.61 |
| Molecular Formula: | C21 H35 N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCCCCN(CC(N1CCNCC1)=O)S(c1ccc(CC(C)C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5107 |
| logD: | 2.9512 |
| logSw: | -3.6523 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.945 |
| InChI Key: | GUYJXGMUXWYANJ-UHFFFAOYSA-N |