2-{[4-(5-bromothiophene-2-sulfonyl)piperazin-1-yl]methyl}-6-methyl-1,3-benzoxazole
Chemical Structure Depiction of
2-{[4-(5-bromothiophene-2-sulfonyl)piperazin-1-yl]methyl}-6-methyl-1,3-benzoxazole
2-{[4-(5-bromothiophene-2-sulfonyl)piperazin-1-yl]methyl}-6-methyl-1,3-benzoxazole
Compound characteristics
| Compound ID: | F874-0381 |
| Compound Name: | 2-{[4-(5-bromothiophene-2-sulfonyl)piperazin-1-yl]methyl}-6-methyl-1,3-benzoxazole |
| Molecular Weight: | 456.38 |
| Molecular Formula: | C17 H18 Br N3 O3 S2 |
| Smiles: | Cc1ccc2c(c1)oc(CN1CCN(CC1)S(c1ccc(s1)[Br])(=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.6988 |
| logD: | 3.6986 |
| logSw: | -3.7891 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.256 |
| InChI Key: | JJNHWQDFJKPNIC-UHFFFAOYSA-N |