1-[(3S)-3-methyl-7-(pyridin-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propan-1-one
Chemical Structure Depiction of
1-[(3S)-3-methyl-7-(pyridin-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propan-1-one
1-[(3S)-3-methyl-7-(pyridin-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propan-1-one
Compound characteristics
| Compound ID: | SC09-0567 |
| Compound Name: | 1-[(3S)-3-methyl-7-(pyridin-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propan-1-one |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C24 H28 N4 O2 |
| Smiles: | Cc1c(CCC(N2Cc3cc(ccc3OC[C@@H]2C)c2cccnc2)=O)c(C)n(C)n1 |
| Stereo: | ABSOLUTE |
| logP: | 2.831 |
| logD: | 2.8242 |
| logSw: | -2.9556 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.172 |
| InChI Key: | YOFXDPSJLSTDCB-INIZCTEOSA-N |