6-[4-(5-bromopyridine-3-carbonyl)piperazine-1-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-[4-(5-bromopyridine-3-carbonyl)piperazine-1-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
6-[4-(5-bromopyridine-3-carbonyl)piperazine-1-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | L694-0102 |
| Compound Name: | 6-[4-(5-bromopyridine-3-carbonyl)piperazine-1-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 481.32 |
| Molecular Formula: | C18 H17 Br N4 O5 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(N1CCN(CC1)C(c1cc(cnc1)[Br])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4283 |
| logD: | 1.4283 |
| logSw: | -2.1027 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.879 |
| InChI Key: | NIKIOSFNGOZCGY-UHFFFAOYSA-N |