N,N-bis(2-methylpropyl)-4-(piperazin-1-yl)-3-[(4-propylbenzene-1-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N,N-bis(2-methylpropyl)-4-(piperazin-1-yl)-3-[(4-propylbenzene-1-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
N,N-bis(2-methylpropyl)-4-(piperazin-1-yl)-3-[(4-propylbenzene-1-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0595 |
| Compound Name: | N,N-bis(2-methylpropyl)-4-(piperazin-1-yl)-3-[(4-propylbenzene-1-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 628.75 |
| Molecular Formula: | C28 H42 N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCCc1ccc(cc1)S(Nc1cc(ccc1N1CCNCC1)C(N(CC(C)C)CC(C)C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3326 |
| logD: | 5.3326 |
| logSw: | -5.3206 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.785 |
| InChI Key: | XYVBEUQVAIKLBY-UHFFFAOYSA-N |