N-[(3-methylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]-4-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(3-methylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]-4-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[(3-methylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]-4-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0872 |
| Compound Name: | N-[(3-methylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]-4-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 543.6 |
| Molecular Formula: | C23 H31 N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)c1ccc(cc1)S(N(CC(N1CCNCC1)=O)Cc1cccc(C)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4158 |
| logD: | 2.8563 |
| logSw: | -3.7213 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.695 |
| InChI Key: | HUGVDEJAQRNCLK-UHFFFAOYSA-N |