3-methyl-6-[4-(pyridine-4-carbonyl)piperazine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-methyl-6-[4-(pyridine-4-carbonyl)piperazine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one
3-methyl-6-[4-(pyridine-4-carbonyl)piperazine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | L694-0122 |
| Compound Name: | 3-methyl-6-[4-(pyridine-4-carbonyl)piperazine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 402.43 |
| Molecular Formula: | C18 H18 N4 O5 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(N1CCN(CC1)C(c1ccncc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2494 |
| logD: | 0.2471 |
| logSw: | -1.8443 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.7 |
| InChI Key: | KHUNPCJOBUBBJR-UHFFFAOYSA-N |