6-{4-[(4-chloro-2-methylphenoxy)acetyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-{4-[(4-chloro-2-methylphenoxy)acetyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
6-{4-[(4-chloro-2-methylphenoxy)acetyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | L694-0121 |
| Compound Name: | 6-{4-[(4-chloro-2-methylphenoxy)acetyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 479.94 |
| Molecular Formula: | C21 H22 Cl N3 O6 S |
| Smiles: | Cc1cc(ccc1OCC(N1CCN(CC1)S(c1ccc2c(c1)OC(N2C)=O)(=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.7824 |
| logD: | 2.7824 |
| logSw: | -3.3458 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.33 |
| InChI Key: | ONICXCLBEWMEAZ-UHFFFAOYSA-N |