3-{[4-(5-bromothiophene-2-sulfonyl)piperazin-1-yl]methyl}-1,2-benzoxazole
Chemical Structure Depiction of
3-{[4-(5-bromothiophene-2-sulfonyl)piperazin-1-yl]methyl}-1,2-benzoxazole
3-{[4-(5-bromothiophene-2-sulfonyl)piperazin-1-yl]methyl}-1,2-benzoxazole
Compound characteristics
| Compound ID: | L269-0939 |
| Compound Name: | 3-{[4-(5-bromothiophene-2-sulfonyl)piperazin-1-yl]methyl}-1,2-benzoxazole |
| Molecular Weight: | 442.35 |
| Molecular Formula: | C16 H16 Br N3 O3 S2 |
| Smiles: | C1CN(CCN1Cc1c2ccccc2on1)S(c1ccc(s1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3033 |
| logD: | 3.3024 |
| logSw: | -3.4601 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.203 |
| InChI Key: | LEWJFOCPRDHORO-UHFFFAOYSA-N |