1-(morpholin-4-yl)-3-(4-{[3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)propan-1-one
Chemical Structure Depiction of
1-(morpholin-4-yl)-3-(4-{[3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)propan-1-one
1-(morpholin-4-yl)-3-(4-{[3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-2768 |
| Compound Name: | 1-(morpholin-4-yl)-3-(4-{[3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)propan-1-one |
| Molecular Weight: | 452.57 |
| Molecular Formula: | C24 H28 N4 O3 S |
| Smiles: | C(Cc1ccc2c(CN(CCO2)Cc2c[nH]nc2c2cccs2)c1)C(N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7875 |
| logD: | 0.0673 |
| logSw: | -3.2439 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.153 |
| InChI Key: | JQCAUZNMVXMMAC-UHFFFAOYSA-N |