N-(2-methoxyethyl)-4-(piperazin-1-yl)-3-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-(2-methoxyethyl)-4-(piperazin-1-yl)-3-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
N-(2-methoxyethyl)-4-(piperazin-1-yl)-3-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0970 |
| Compound Name: | N-(2-methoxyethyl)-4-(piperazin-1-yl)-3-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 574.62 |
| Molecular Formula: | C23 H32 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cc(C)c(cc1C)S(Nc1cc(ccc1N1CCNCC1)C(NCCOC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7526 |
| logD: | 2.7526 |
| logSw: | -3.3115 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.171 |
| InChI Key: | NLLYJGCWLIHEPD-UHFFFAOYSA-N |