N-benzyl-4-(piperazin-1-yl)-3-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-benzyl-4-(piperazin-1-yl)-3-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
N-benzyl-4-(piperazin-1-yl)-3-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0853 |
| Compound Name: | N-benzyl-4-(piperazin-1-yl)-3-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 606.66 |
| Molecular Formula: | C27 H32 N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cc(C)c(cc1C)S(Nc1cc(ccc1N1CCNCC1)C(NCc1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2598 |
| logD: | 4.2598 |
| logSw: | -4.1587 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.716 |
| InChI Key: | LYQMMENDBXOYOL-UHFFFAOYSA-N |