6-[4-(5-bromopyridine-3-carbonyl)piperazine-1-sulfonyl]-3-methyl-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-[4-(5-bromopyridine-3-carbonyl)piperazine-1-sulfonyl]-3-methyl-1,3-benzothiazol-2(3H)-one
6-[4-(5-bromopyridine-3-carbonyl)piperazine-1-sulfonyl]-3-methyl-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | L475-0251 |
| Compound Name: | 6-[4-(5-bromopyridine-3-carbonyl)piperazine-1-sulfonyl]-3-methyl-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 497.39 |
| Molecular Formula: | C18 H17 Br N4 O4 S2 |
| Smiles: | CN1C(=O)Sc2cc(ccc12)S(N1CCN(CC1)C(c1cc(cnc1)[Br])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4819 |
| logD: | 2.4819 |
| logSw: | -2.6369 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 73.623 |
| InChI Key: | BXXLCLPVYBUXEP-UHFFFAOYSA-N |