3-ethyl-6-[4-(3-phenylprop-2-enoyl)piperazine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-ethyl-6-[4-(3-phenylprop-2-enoyl)piperazine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one
3-ethyl-6-[4-(3-phenylprop-2-enoyl)piperazine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | L694-0280 |
| Compound Name: | 3-ethyl-6-[4-(3-phenylprop-2-enoyl)piperazine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 441.5 |
| Molecular Formula: | C22 H23 N3 O5 S |
| Smiles: | CCN1C(=O)Oc2cc(ccc12)S(N1CCN(CC1)C(/C=C/c1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7007 |
| logD: | 2.7007 |
| logSw: | -3.3499 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.703 |
| InChI Key: | VQNYRDNBBGNTGS-UHFFFAOYSA-N |