3-methyl-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
3-methyl-1-[(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butan-1-one
3-methyl-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: | S978-0323 |
| Compound Name: | 3-methyl-1-[(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butan-1-one |
| Molecular Weight: | 359.51 |
| Molecular Formula: | C21 H33 N3 O2 |
| Smiles: | CC(C)CC(N1Cc2cc(CN3CCN(C)CC3)ccc2OC[C@@H]1C)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.6639 |
| logD: | 1.865 |
| logSw: | -2.82 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.5673 |
| InChI Key: | TVPNUVWGFNCZCB-KRWDZBQOSA-N |