N-(3-methoxypropyl)-1-{4-[(4-methylbenzene-1-sulfonyl)amino]benzoyl}piperidine-4-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-(3-methoxypropyl)-1-{4-[(4-methylbenzene-1-sulfonyl)amino]benzoyl}piperidine-4-carboxamide--trifluoroacetic acid (1/1)
N-(3-methoxypropyl)-1-{4-[(4-methylbenzene-1-sulfonyl)amino]benzoyl}piperidine-4-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L445-0197 |
| Compound Name: | N-(3-methoxypropyl)-1-{4-[(4-methylbenzene-1-sulfonyl)amino]benzoyl}piperidine-4-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 587.61 |
| Molecular Formula: | C24 H31 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1)S(Nc1ccc(cc1)C(N1CCC(CC1)C(NCCCOC)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2382 |
| logD: | 1.3881 |
| logSw: | -2.9078 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.405 |
| InChI Key: | OHOKCUGVHCWOGO-UHFFFAOYSA-N |