N-benzyl-N-ethyl-5-[(4-fluorobenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)pyridine-3-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-benzyl-N-ethyl-5-[(4-fluorobenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)pyridine-3-carboxamide--trifluoroacetic acid (1/1)
N-benzyl-N-ethyl-5-[(4-fluorobenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)pyridine-3-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L346-0036 |
| Compound Name: | N-benzyl-N-ethyl-5-[(4-fluorobenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)pyridine-3-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 611.62 |
| Molecular Formula: | C25 H28 F N5 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCN(Cc1ccccc1)C(c1cc(cnc1N1CCNCC1)NS(c1ccc(cc1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1282 |
| logD: | 1.6501 |
| logSw: | -3.3758 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.307 |
| InChI Key: | VXODOFHTPMOIDT-UHFFFAOYSA-N |