3-[(5-bromothiophene-2-sulfonyl)amino]-4-(piperazin-1-yl)-N-(propan-2-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(5-bromothiophene-2-sulfonyl)amino]-4-(piperazin-1-yl)-N-(propan-2-yl)benzamide--trifluoroacetic acid (1/1)
3-[(5-bromothiophene-2-sulfonyl)amino]-4-(piperazin-1-yl)-N-(propan-2-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0773 |
| Compound Name: | 3-[(5-bromothiophene-2-sulfonyl)amino]-4-(piperazin-1-yl)-N-(propan-2-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 601.46 |
| Molecular Formula: | C18 H23 Br N4 O3 S2 |
| Salt: | CF3COOH |
| Smiles: | CC(C)NC(c1ccc(c(c1)NS(c1ccc(s1)[Br])(=O)=O)N1CCNCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.761 |
| logD: | 2.761 |
| logSw: | -3.5279 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.98 |
| InChI Key: | IHTWPLBSZMFYQJ-UHFFFAOYSA-N |