6-{4-[(4-chlorophenoxy)acetyl]piperazine-1-sulfonyl}-3-ethyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-{4-[(4-chlorophenoxy)acetyl]piperazine-1-sulfonyl}-3-ethyl-1,3-benzoxazol-2(3H)-one
6-{4-[(4-chlorophenoxy)acetyl]piperazine-1-sulfonyl}-3-ethyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | L694-0238 |
| Compound Name: | 6-{4-[(4-chlorophenoxy)acetyl]piperazine-1-sulfonyl}-3-ethyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 479.94 |
| Molecular Formula: | C21 H22 Cl N3 O6 S |
| Smiles: | CCN1C(=O)Oc2cc(ccc12)S(N1CCN(CC1)C(COc1ccc(cc1)[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3757 |
| logD: | 2.3757 |
| logSw: | -3.2717 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.202 |
| InChI Key: | YYDWPHFHHNSBET-UHFFFAOYSA-N |