N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-[3-(piperidin-1-yl)propyl]-4-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-[3-(piperidin-1-yl)propyl]-4-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-[3-(piperidin-1-yl)propyl]-4-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0700 |
| Compound Name: | N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-[3-(piperidin-1-yl)propyl]-4-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 564.67 |
| Molecular Formula: | C23 H38 N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)c1ccc(cc1)S(N(CCCN1CCCCC1)CC(N1CCNCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1437 |
| logD: | 0.4516 |
| logSw: | -2.7477 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.656 |
| InChI Key: | HKBPYYCIACGHGF-UHFFFAOYSA-N |