N-ethyl-2-(piperazin-1-yl)-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}pyridine-3-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-ethyl-2-(piperazin-1-yl)-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}pyridine-3-carboxamide--trifluoroacetic acid (1/1)
N-ethyl-2-(piperazin-1-yl)-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}pyridine-3-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L346-0394 |
| Compound Name: | N-ethyl-2-(piperazin-1-yl)-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}pyridine-3-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 545.58 |
| Molecular Formula: | C21 H29 N5 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCNC(c1cc(cnc1N1CCNCC1)NS(c1ccc(cc1)C(C)C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8783 |
| logD: | 1.4003 |
| logSw: | -3.4371 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.682 |
| InChI Key: | AFISYVBMEXNBNS-UHFFFAOYSA-N |