3-{4-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one
Chemical Structure Depiction of
3-{4-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one
3-{4-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-2781 |
| Compound Name: | 3-{4-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one |
| Molecular Weight: | 412.53 |
| Molecular Formula: | C23 H32 N4 O3 |
| Smiles: | CCn1c(C)c(CN2CCOc3ccc(CCC(N4CCOCC4)=O)cc3C2)cn1 |
| Stereo: | ACHIRAL |
| logP: | 1.6477 |
| logD: | -3.8184 |
| logSw: | -1.9522 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.87 |
| InChI Key: | DHYYQBACPHYELF-UHFFFAOYSA-N |