N,N-dimethyl-2-(piperazin-1-yl)-5-[(4-propylbenzene-1-sulfonyl)amino]pyridine-3-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N,N-dimethyl-2-(piperazin-1-yl)-5-[(4-propylbenzene-1-sulfonyl)amino]pyridine-3-carboxamide--trifluoroacetic acid (1/1)
N,N-dimethyl-2-(piperazin-1-yl)-5-[(4-propylbenzene-1-sulfonyl)amino]pyridine-3-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L346-0538 |
| Compound Name: | N,N-dimethyl-2-(piperazin-1-yl)-5-[(4-propylbenzene-1-sulfonyl)amino]pyridine-3-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 545.58 |
| Molecular Formula: | C21 H29 N5 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCCc1ccc(cc1)S(Nc1cc(C(N(C)C)=O)c(nc1)N1CCNCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1369 |
| logD: | 0.6588 |
| logSw: | -3.0624 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.372 |
| InChI Key: | MTQYYJUCKIVEKS-UHFFFAOYSA-N |