methyl [2-oxo-6-(4-phenylpiperazine-1-sulfonyl)-1,3-benzoxazol-3(2H)-yl]acetate
Chemical Structure Depiction of
methyl [2-oxo-6-(4-phenylpiperazine-1-sulfonyl)-1,3-benzoxazol-3(2H)-yl]acetate
methyl [2-oxo-6-(4-phenylpiperazine-1-sulfonyl)-1,3-benzoxazol-3(2H)-yl]acetate
Compound characteristics
| Compound ID: | F064-0073 |
| Compound Name: | methyl [2-oxo-6-(4-phenylpiperazine-1-sulfonyl)-1,3-benzoxazol-3(2H)-yl]acetate |
| Molecular Weight: | 431.47 |
| Molecular Formula: | C20 H21 N3 O6 S |
| Smiles: | COC(CN1C(=O)Oc2cc(ccc12)S(N1CCN(CC1)c1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0428 |
| logD: | 2.0428 |
| logSw: | -2.8728 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.889 |
| InChI Key: | KZBSRXFEKLDUKF-UHFFFAOYSA-N |