N-(2-methoxyethyl)-1-{4-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoyl}piperidine-4-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-(2-methoxyethyl)-1-{4-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoyl}piperidine-4-carboxamide--trifluoroacetic acid (1/1)
N-(2-methoxyethyl)-1-{4-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoyl}piperidine-4-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L445-0132 |
| Compound Name: | N-(2-methoxyethyl)-1-{4-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoyl}piperidine-4-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 601.64 |
| Molecular Formula: | C25 H33 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cc(C)c(c(C)c1)S(Nc1ccc(cc1)C(N1CCC(CC1)C(NCCOC)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0477 |
| logD: | 0.856 |
| logSw: | -3.2739 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.405 |
| InChI Key: | MYXSQDNEAHPIIX-UHFFFAOYSA-N |