6-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
6-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | E975-1121 |
| Compound Name: | 6-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C23 H27 N3 O5 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CCS(c1ccc2c(c1)OC(N2C)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5069 |
| logD: | 2.5068 |
| logSw: | -2.7698 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.221 |
| InChI Key: | LDFXYFLTKIABTR-UHFFFAOYSA-N |