3-[(2-acetamido-5-methylbenzene-1-sulfonyl)amino]-N-ethyl-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(2-acetamido-5-methylbenzene-1-sulfonyl)amino]-N-ethyl-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
3-[(2-acetamido-5-methylbenzene-1-sulfonyl)amino]-N-ethyl-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-1003 |
| Compound Name: | 3-[(2-acetamido-5-methylbenzene-1-sulfonyl)amino]-N-ethyl-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 573.59 |
| Molecular Formula: | C22 H29 N5 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCNC(c1ccc(c(c1)NS(c1cc(C)ccc1NC(C)=O)(=O)=O)N1CCNCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5795 |
| logD: | 0.5795 |
| logSw: | -2.3703 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 102.177 |
| InChI Key: | JLFUBEQIRXDPKX-UHFFFAOYSA-N |