1-{4-[(3,4-dimethoxybenzene-1-sulfonyl)amino]phenyl}-N-[(oxolan-2-yl)methyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(3,4-dimethoxybenzene-1-sulfonyl)amino]phenyl}-N-[(oxolan-2-yl)methyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(3,4-dimethoxybenzene-1-sulfonyl)amino]phenyl}-N-[(oxolan-2-yl)methyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0047 |
| Compound Name: | 1-{4-[(3,4-dimethoxybenzene-1-sulfonyl)amino]phenyl}-N-[(oxolan-2-yl)methyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 574.57 |
| Molecular Formula: | C23 H28 N2 O6 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(cc1OC)S(Nc1ccc(cc1)C1(CC1)C(NCC1CCCO1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9501 |
| logD: | 1.9497 |
| logSw: | -2.703 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.468 |
| InChI Key: | FIBNTTMWMKVSEI-GOSISDBHSA-N |