1-{4-[(2-acetamido-5-methylbenzene-1-sulfonyl)amino]phenyl}-N-cycloheptylcyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(2-acetamido-5-methylbenzene-1-sulfonyl)amino]phenyl}-N-cycloheptylcyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(2-acetamido-5-methylbenzene-1-sulfonyl)amino]phenyl}-N-cycloheptylcyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0228 |
| Compound Name: | 1-{4-[(2-acetamido-5-methylbenzene-1-sulfonyl)amino]phenyl}-N-cycloheptylcyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 597.65 |
| Molecular Formula: | C26 H33 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(Nc1ccc(C)cc1S(Nc1ccc(cc1)C1(CC1)C(NC1CCCCCC1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.763 |
| logD: | 3.6075 |
| logSw: | -3.8688 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.173 |
| InChI Key: | PGQBYBRKSMTXKZ-UHFFFAOYSA-N |