N-butyl-1-{4-[(4-methoxybenzene-1-sulfonyl)amino]benzoyl}piperidine-4-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-butyl-1-{4-[(4-methoxybenzene-1-sulfonyl)amino]benzoyl}piperidine-4-carboxamide--trifluoroacetic acid (1/1)
N-butyl-1-{4-[(4-methoxybenzene-1-sulfonyl)amino]benzoyl}piperidine-4-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L445-0301 |
| Compound Name: | N-butyl-1-{4-[(4-methoxybenzene-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: | CCCCNC(C1CCN(CC1)C(c1ccc(cc1)NS(c1ccc(cc1)OC)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9174 |
| logD: | 2.7131 |
| logSw: | -3.4008 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.606 |
| InChI Key: | GTKPQVAMNYYUJQ-UHFFFAOYSA-N |