methyl 4-{2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1,3-benzoxazol-3(2H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1,3-benzoxazol-3(2H)-yl]acetamido}benzoate
methyl 4-{2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1,3-benzoxazol-3(2H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | C989-0549 |
| Compound Name: | methyl 4-{2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1,3-benzoxazol-3(2H)-yl]acetamido}benzoate |
| Molecular Weight: | 459.48 |
| Molecular Formula: | C21 H21 N3 O7 S |
| Smiles: | COC(c1ccc(cc1)NC(CN1C(=O)Oc2cc(ccc12)S(N1CCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5905 |
| logD: | 2.5904 |
| logSw: | -3.2787 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.467 |
| InChI Key: | XROACRMLGCTBHD-UHFFFAOYSA-N |