[(3R)-3-methyl-7-(pyrimidin-5-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](thiophen-2-yl)methanone
Chemical Structure Depiction of
[(3R)-3-methyl-7-(pyrimidin-5-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](thiophen-2-yl)methanone
[(3R)-3-methyl-7-(pyrimidin-5-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](thiophen-2-yl)methanone
Compound characteristics
| Compound ID: | SC09-0246 |
| Compound Name: | [(3R)-3-methyl-7-(pyrimidin-5-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](thiophen-2-yl)methanone |
| Molecular Weight: | 351.43 |
| Molecular Formula: | C19 H17 N3 O2 S |
| Smiles: | C[C@@H]1COc2ccc(cc2CN1C(c1cccs1)=O)c1cncnc1 |
| Stereo: | ABSOLUTE |
| logP: | 2.9648 |
| logD: | 2.9648 |
| logSw: | -3.1442 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.111 |
| InChI Key: | YMHRIFQTNRLEFM-CYBMUJFWSA-N |