2-(3-methoxyphenyl)-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-(3-methoxyphenyl)-1-[(3S)-3-methyl-7-(pyrimidin-5-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
2-(3-methoxyphenyl)-1-[(3S)-3-methyl-7-(pyrimidin-5-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | SC09-0243 |
| Compound Name: | 2-(3-methoxyphenyl)-1-[(3S)-3-methyl-7-(pyrimidin-5-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one |
| Molecular Weight: | 389.45 |
| Molecular Formula: | C23 H23 N3 O3 |
| Smiles: | C[C@H]1COc2ccc(cc2CN1C(Cc1cccc(c1)OC)=O)c1cncnc1 |
| Stereo: | ABSOLUTE |
| logP: | 3.2174 |
| logD: | 3.2174 |
| logSw: | -3.1729 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.109 |
| InChI Key: | GCIUEDPEGQXIQD-INIZCTEOSA-N |