N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1,3-benzoxazol-3(2H)-yl]acetamide
Chemical Structure Depiction of
N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1,3-benzoxazol-3(2H)-yl]acetamide
N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1,3-benzoxazol-3(2H)-yl]acetamide
Compound characteristics
| Compound ID: | K906-2924 |
| Compound Name: | N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1,3-benzoxazol-3(2H)-yl]acetamide |
| Molecular Weight: | 487.49 |
| Molecular Formula: | C22 H21 N3 O8 S |
| Smiles: | CC(c1cc2c(cc1NC(CN1C(=O)Oc3cc(ccc13)S(N1CCCC1)(=O)=O)=O)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9255 |
| logD: | 1.8755 |
| logSw: | -3.1001 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.538 |
| InChI Key: | WPTFZICBDSYHTP-UHFFFAOYSA-N |