2-ethyl-1-[(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butan-1-one
Chemical Structure Depiction of
2-ethyl-1-[(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butan-1-one
2-ethyl-1-[(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butan-1-one
Compound characteristics
| Compound ID: | S978-0322 |
| Compound Name: | 2-ethyl-1-[(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butan-1-one |
| Molecular Weight: | 373.54 |
| Molecular Formula: | C22 H35 N3 O2 |
| Smiles: | CCC(CC)C(N1Cc2cc(CN3CCN(C)CC3)ccc2OC[C@@H]1C)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.1636 |
| logD: | 2.3647 |
| logSw: | -2.9791 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.095 |
| InChI Key: | MEISGQNJEOOTSB-KRWDZBQOSA-N |