methyl {6-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-2-oxo-1,3-benzoxazol-3(2H)-yl}acetate
Chemical Structure Depiction of
methyl {6-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-2-oxo-1,3-benzoxazol-3(2H)-yl}acetate
methyl {6-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-2-oxo-1,3-benzoxazol-3(2H)-yl}acetate
Compound characteristics
| Compound ID: | F064-0066 |
| Compound Name: | methyl {6-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-2-oxo-1,3-benzoxazol-3(2H)-yl}acetate |
| Molecular Weight: | 461.49 |
| Molecular Formula: | C21 H23 N3 O7 S |
| Smiles: | COC(CN1C(=O)Oc2cc(ccc12)S(N1CCN(CC1)c1ccccc1OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0436 |
| logD: | 2.0435 |
| logSw: | -2.7837 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.218 |
| InChI Key: | NEMDRNQSRYXTAC-UHFFFAOYSA-N |