3-[(4-bromobenzene-1-sulfonyl)amino]-N-(butan-2-yl)-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(4-bromobenzene-1-sulfonyl)amino]-N-(butan-2-yl)-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
3-[(4-bromobenzene-1-sulfonyl)amino]-N-(butan-2-yl)-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0875 |
| Compound Name: | 3-[(4-bromobenzene-1-sulfonyl)amino]-N-(butan-2-yl)-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 609.46 |
| Molecular Formula: | C21 H27 Br N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCC(C)NC(c1ccc(c(c1)NS(c1ccc(cc1)[Br])(=O)=O)N1CCNCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0354 |
| logD: | 3.0354 |
| logSw: | -3.6979 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.429 |
| InChI Key: | OALHMQIQVDYINJ-HNNXBMFYSA-N |