1-[(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(thiophen-3-yl)ethan-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]-2-(thiophen-3-yl)ethan-1-one
1-[(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(thiophen-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | S978-0332 |
| Compound Name: | 1-[(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(thiophen-3-yl)ethan-1-one |
| Molecular Weight: | 399.55 |
| Molecular Formula: | C22 H29 N3 O2 S |
| Smiles: | C[C@H]1COc2ccc(CN3CCN(C)CC3)cc2CN1C(Cc1ccsc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.6701 |
| logD: | 1.8712 |
| logSw: | -2.8626 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.314 |
| InChI Key: | XNGJUBXGETWNRF-KRWDZBQOSA-N |