3-[(5-bromothiophene-2-sulfonyl)amino]-N-ethyl-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(5-bromothiophene-2-sulfonyl)amino]-N-ethyl-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
3-[(5-bromothiophene-2-sulfonyl)amino]-N-ethyl-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0991 |
| Compound Name: | 3-[(5-bromothiophene-2-sulfonyl)amino]-N-ethyl-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 587.43 |
| Molecular Formula: | C17 H21 Br N4 O3 S2 |
| Salt: | CF3COOH |
| Smiles: | CCNC(c1ccc(c(c1)NS(c1ccc(s1)[Br])(=O)=O)N1CCNCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2462 |
| logD: | 2.2462 |
| logSw: | -2.9794 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.631 |
| InChI Key: | OEJWPWKXGUSVEO-UHFFFAOYSA-N |