1-[(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-3-phenylpropan-1-one
Chemical Structure Depiction of
1-[(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-3-phenylpropan-1-one
1-[(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-3-phenylpropan-1-one
Compound characteristics
| Compound ID: | S978-0372 |
| Compound Name: | 1-[(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-3-phenylpropan-1-one |
| Molecular Weight: | 407.56 |
| Molecular Formula: | C25 H33 N3 O2 |
| Smiles: | C[C@H]1COc2ccc(CN3CCN(C)CC3)cc2CN1C(CCc1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.3522 |
| logD: | 2.5533 |
| logSw: | -3.53 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.2957 |
| InChI Key: | QPYQYCDOZGRZMB-FQEVSTJZSA-N |