1-{4-[(2-acetamido-5-methylbenzene-1-sulfonyl)amino]phenyl}-N-(2-methylpropyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(2-acetamido-5-methylbenzene-1-sulfonyl)amino]phenyl}-N-(2-methylpropyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(2-acetamido-5-methylbenzene-1-sulfonyl)amino]phenyl}-N-(2-methylpropyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0702 |
| Compound Name: | 1-{4-[(2-acetamido-5-methylbenzene-1-sulfonyl)amino]phenyl}-N-(2-methylpropyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 557.59 |
| Molecular Formula: | C23 H29 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)CNC(C1(CC1)c1ccc(cc1)NS(c1cc(C)ccc1NC(C)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4932 |
| logD: | 2.3378 |
| logSw: | -2.952 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.389 |
| InChI Key: | UJMZPKNMGZSILD-UHFFFAOYSA-N |