6-{4-[(3-chloro-4-methoxyphenyl)acetyl]piperazine-1-sulfonyl}-3-ethyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-{4-[(3-chloro-4-methoxyphenyl)acetyl]piperazine-1-sulfonyl}-3-ethyl-1,3-benzoxazol-2(3H)-one
6-{4-[(3-chloro-4-methoxyphenyl)acetyl]piperazine-1-sulfonyl}-3-ethyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | L694-0259 |
| Compound Name: | 6-{4-[(3-chloro-4-methoxyphenyl)acetyl]piperazine-1-sulfonyl}-3-ethyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 493.97 |
| Molecular Formula: | C22 H24 Cl N3 O6 S |
| Smiles: | CCN1C(=O)Oc2cc(ccc12)S(N1CCN(CC1)C(Cc1ccc(c(c1)[Cl])OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6781 |
| logD: | 2.6781 |
| logSw: | -3.4653 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.333 |
| InChI Key: | RHNSKCOARVPNPH-UHFFFAOYSA-N |