2-(piperazin-1-yl)-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}-N-propylpyridine-3-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(piperazin-1-yl)-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}-N-propylpyridine-3-carboxamide--trifluoroacetic acid (1/1)
2-(piperazin-1-yl)-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}-N-propylpyridine-3-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L346-0398 |
| Compound Name: | 2-(piperazin-1-yl)-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}-N-propylpyridine-3-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 559.61 |
| Molecular Formula: | C22 H31 N5 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCCNC(c1cc(cnc1N1CCNCC1)NS(c1ccc(cc1)C(C)C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4649 |
| logD: | 1.9868 |
| logSw: | -3.6729 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.898 |
| InChI Key: | SGYZVCIOKOVYBZ-UHFFFAOYSA-N |