[rel-(2R,3S,5S)-8-methyl-9-oxo-2,3-dihydro-5H,9H-2,5-methanopyrimido[2,1-b][1,5,3]dioxazepin-3-yl]methyl benzoate
Chemical Structure Depiction of
[rel-(2R,3S,5S)-8-methyl-9-oxo-2,3-dihydro-5H,9H-2,5-methanopyrimido[2,1-b][1,5,3]dioxazepin-3-yl]methyl benzoate
[rel-(2R,3S,5S)-8-methyl-9-oxo-2,3-dihydro-5H,9H-2,5-methanopyrimido[2,1-b][1,5,3]dioxazepin-3-yl]methyl benzoate
Compound characteristics
| Compound ID: | 1545-0306 |
| Compound Name: | [rel-(2R,3S,5S)-8-methyl-9-oxo-2,3-dihydro-5H,9H-2,5-methanopyrimido[2,1-b][1,5,3]dioxazepin-3-yl]methyl benzoate |
| Molecular Weight: | 328.32 |
| Molecular Formula: | C17 H16 N2 O5 |
| Smiles: | CC1=CN2C(=NC1=O)O[C@H]1C[C@H]2O[C@@H]1COC(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8193 |
| logD: | 1.8193 |
| logSw: | -1.9217 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.84 |
| InChI Key: | WUQUVOAMQGVMKB-MGPQQGTHSA-N |