3-[4-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Chemical Structure Depiction of
3-[4-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
3-[4-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Compound characteristics
| Compound ID: | S629-1612 |
| Compound Name: | 3-[4-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide |
| Molecular Weight: | 356.42 |
| Molecular Formula: | C19 H24 N4 O3 |
| Smiles: | CCn1c(C)c(cn1)C(N1CCOc2ccc(CCC(N)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1153 |
| logD: | 1.1153 |
| logSw: | -2.2663 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.144 |
| InChI Key: | AGNXBQXUPHJEID-UHFFFAOYSA-N |