2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-(2,2-dimethoxyethyl)acetamide
Chemical Structure Depiction of
2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-(2,2-dimethoxyethyl)acetamide
2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-(2,2-dimethoxyethyl)acetamide
Compound characteristics
| Compound ID: | C534-0661 |
| Compound Name: | 2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-(2,2-dimethoxyethyl)acetamide |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C20 H29 N3 O7 S |
| Smiles: | COC(CNC(CN1C(COc2ccc(cc12)S(N1CCCCCC1)(=O)=O)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 0.6019 |
| logD: | 0.6019 |
| logSw: | -2.5925 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.348 |
| InChI Key: | PMODPDMIGFRTJL-UHFFFAOYSA-N |