N-[(oxolan-2-yl)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-[(oxolan-2-yl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]-4-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[(oxolan-2-yl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]-4-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0364 |
| Compound Name: | N-[(oxolan-2-yl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]-4-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 523.57 |
| Molecular Formula: | C20 H31 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)c1ccc(cc1)S(N(CC1CCCO1)CC(N1CCNCC1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3439 |
| logD: | 0.7844 |
| logSw: | -2.4019 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.35 |
| InChI Key: | LDTLNWMMWCGHEV-GOSISDBHSA-N |