2-methoxy-1-[(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Chemical Structure Depiction of
2-methoxy-1-[(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
2-methoxy-1-[(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | S978-0312 |
| Compound Name: | 2-methoxy-1-[(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one |
| Molecular Weight: | 347.46 |
| Molecular Formula: | C19 H29 N3 O3 |
| Smiles: | C[C@H]1COc2ccc(CN3CCN(C)CC3)cc2CN1C(COC)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.0159 |
| logD: | 0.217 |
| logSw: | -2.0786 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.991 |
| InChI Key: | HLERAHGQNPTNGX-HNNXBMFYSA-N |