2-cyclopentyl-1-[(3R)-3-methyl-7-(pyrimidin-5-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Chemical Structure Depiction of
2-cyclopentyl-1-[(3R)-3-methyl-7-(pyrimidin-5-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
2-cyclopentyl-1-[(3R)-3-methyl-7-(pyrimidin-5-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | SC09-0303 |
| Compound Name: | 2-cyclopentyl-1-[(3R)-3-methyl-7-(pyrimidin-5-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one |
| Molecular Weight: | 351.45 |
| Molecular Formula: | C21 H25 N3 O2 |
| Smiles: | C[C@@H]1COc2ccc(cc2CN1C(CC1CCCC1)=O)c1cncnc1 |
| Stereo: | ABSOLUTE |
| logP: | 3.2482 |
| logD: | 3.2482 |
| logSw: | -3.1519 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.123 |
| InChI Key: | ICUBKOVYRPOPDZ-OAHLLOKOSA-N |