4-(piperazin-1-yl)-N-{[4-(propan-2-yl)phenyl]methyl}-3-[(thiophene-2-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-(piperazin-1-yl)-N-{[4-(propan-2-yl)phenyl]methyl}-3-[(thiophene-2-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
4-(piperazin-1-yl)-N-{[4-(propan-2-yl)phenyl]methyl}-3-[(thiophene-2-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-1200 |
| Compound Name: | 4-(piperazin-1-yl)-N-{[4-(propan-2-yl)phenyl]methyl}-3-[(thiophene-2-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 612.69 |
| Molecular Formula: | C25 H30 N4 O3 S2 |
| Salt: | CF3COOH |
| Smiles: | CC(C)c1ccc(CNC(c2ccc(c(c2)NS(c2cccs2)(=O)=O)N2CCNCC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0229 |
| logD: | 4.0229 |
| logSw: | -4.087 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.734 |
| InChI Key: | PHVWQFZKBLFUEI-UHFFFAOYSA-N |