6-[4-(5-bromopyridine-3-carbonyl)piperazine-1-sulfonyl]-3-ethyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-[4-(5-bromopyridine-3-carbonyl)piperazine-1-sulfonyl]-3-ethyl-1,3-benzoxazol-2(3H)-one
6-[4-(5-bromopyridine-3-carbonyl)piperazine-1-sulfonyl]-3-ethyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | L694-0251 |
| Compound Name: | 6-[4-(5-bromopyridine-3-carbonyl)piperazine-1-sulfonyl]-3-ethyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 495.35 |
| Molecular Formula: | C19 H19 Br N4 O5 S |
| Smiles: | CCN1C(=O)Oc2cc(ccc12)S(N1CCN(CC1)C(c1cc(cnc1)[Br])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9296 |
| logD: | 1.9296 |
| logSw: | -2.4449 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.838 |
| InChI Key: | IMLKLJVOEYWDCY-UHFFFAOYSA-N |