N-[2-(diethylamino)ethyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]-4-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[2-(diethylamino)ethyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]-4-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[2-(diethylamino)ethyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]-4-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0340 |
| Compound Name: | N-[2-(diethylamino)ethyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]-4-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 552.66 |
| Molecular Formula: | C22 H38 N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCN(CC)CCN(CCC(N1CCNCC1)=O)S(c1ccc(cc1)C(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.153 |
| logD: | 1.3251 |
| logSw: | -2.6759 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.335 |
| InChI Key: | HWLYVRAVJAUTML-UHFFFAOYSA-N |