2-ethoxy-1-[(3S)-3-methyl-7-(pyrimidin-5-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Chemical Structure Depiction of
2-ethoxy-1-[(3S)-3-methyl-7-(pyrimidin-5-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
2-ethoxy-1-[(3S)-3-methyl-7-(pyrimidin-5-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | SC09-0268 |
| Compound Name: | 2-ethoxy-1-[(3S)-3-methyl-7-(pyrimidin-5-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one |
| Molecular Weight: | 327.38 |
| Molecular Formula: | C18 H21 N3 O3 |
| Smiles: | CCOCC(N1Cc2cc(ccc2OC[C@@H]1C)c1cncnc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.603 |
| logD: | 1.603 |
| logSw: | -1.8158 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.895 |
| InChI Key: | BNXDJUDRJRRCAD-ZDUSSCGKSA-N |