N-(3-methylbutyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]-4-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-(3-methylbutyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]-4-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-(3-methylbutyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]-4-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0445 |
| Compound Name: | N-(3-methylbutyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]-4-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 523.61 |
| Molecular Formula: | C21 H35 N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)CCN(CCC(N1CCNCC1)=O)S(c1ccc(cc1)C(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1004 |
| logD: | 2.2725 |
| logSw: | -3.4417 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.924 |
| InChI Key: | LPQJJVRVPHUNKW-UHFFFAOYSA-N |