2-cyclohexyl-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-cyclohexyl-1-[(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
2-cyclohexyl-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: | S978-0352 |
| Compound Name: | 2-cyclohexyl-1-[(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one |
| Molecular Weight: | 399.58 |
| Molecular Formula: | C24 H37 N3 O2 |
| Smiles: | C[C@H]1COc2ccc(CN3CCN(C)CC3)cc2CN1C(CC1CCCCC1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.7333 |
| logD: | 2.9343 |
| logSw: | -3.873 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.4879 |
| InChI Key: | QLKPKEVRTHLEOW-IBGZPJMESA-N |