2-(4-chlorophenyl)-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-(4-chlorophenyl)-1-[(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
2-(4-chlorophenyl)-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: | S978-0324 |
| Compound Name: | 2-(4-chlorophenyl)-1-[(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one |
| Molecular Weight: | 427.97 |
| Molecular Formula: | C24 H30 Cl N3 O2 |
| Smiles: | C[C@H]1COc2ccc(CN3CCN(C)CC3)cc2CN1C(Cc1ccc(cc1)[Cl])=O |
| Stereo: | ABSOLUTE |
| logP: | 3.5134 |
| logD: | 2.7144 |
| logSw: | -3.7643 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.2957 |
| InChI Key: | ZWCFWZZRYYMMSV-SFHVURJKSA-N |