N-(3-methylbutyl)-1-{4-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoyl}piperidine-4-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-(3-methylbutyl)-1-{4-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoyl}piperidine-4-carboxamide--trifluoroacetic acid (1/1)
N-(3-methylbutyl)-1-{4-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoyl}piperidine-4-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L445-0016 |
| Compound Name: | N-(3-methylbutyl)-1-{4-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoyl}piperidine-4-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 613.7 |
| Molecular Formula: | C27 H37 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)CCNC(C1CCN(CC1)C(c1ccc(cc1)NS(c1c(C)cc(C)cc1C)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5813 |
| logD: | 2.3896 |
| logSw: | -4.2289 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.063 |
| InChI Key: | ZNIGHUOTSISPSP-UHFFFAOYSA-N |