2-(1H-pyrazol-1-yl)-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Chemical Structure Depiction of
2-(1H-pyrazol-1-yl)-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
2-(1H-pyrazol-1-yl)-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | M400-0415 |
| Compound Name: | 2-(1H-pyrazol-1-yl)-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one |
| Molecular Weight: | 354.41 |
| Molecular Formula: | C19 H22 N4 O3 |
| Smiles: | C1CCN(C1)C(c1ccc2c(CN(CCO2)C(Cn2cccn2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7984 |
| logD: | 0.7984 |
| logSw: | -1.5296 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.112 |
| InChI Key: | LPYLHKCGFGLHGD-UHFFFAOYSA-N |