3-[(2-acetamido-5-methylbenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)-N-(propan-2-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(2-acetamido-5-methylbenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)-N-(propan-2-yl)benzamide--trifluoroacetic acid (1/1)
3-[(2-acetamido-5-methylbenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)-N-(propan-2-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0785 |
| Compound Name: | 3-[(2-acetamido-5-methylbenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)-N-(propan-2-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 587.62 |
| Molecular Formula: | C23 H31 N5 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)NC(c1ccc(c(c1)NS(c1cc(C)ccc1NC(C)=O)(=O)=O)N1CCNCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0942 |
| logD: | 1.0942 |
| logSw: | -2.4008 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 101.526 |
| InChI Key: | PCEQWQNPVCGSRR-UHFFFAOYSA-N |