1-{4-[(4-tert-butylbenzene-1-sulfonyl)amino]benzoyl}-N-(2-methylpropyl)piperidine-4-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(4-tert-butylbenzene-1-sulfonyl)amino]benzoyl}-N-(2-methylpropyl)piperidine-4-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(4-tert-butylbenzene-1-sulfonyl)amino]benzoyl}-N-(2-methylpropyl)piperidine-4-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L445-0256 |
| Compound Name: | 1-{4-[(4-tert-butylbenzene-1-sulfonyl)amino]benzoyl}-N-(2-methylpropyl)piperidine-4-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 613.7 |
| Molecular Formula: | C27 H37 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)CNC(C1CCN(CC1)C(c1ccc(cc1)NS(c1ccc(cc1)C(C)(C)C)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5874 |
| logD: | 3.7373 |
| logSw: | -4.1667 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.221 |
| InChI Key: | VCLODTWYSKTLEU-UHFFFAOYSA-N |