2-(3,5-dimethyl-1,2-oxazol-4-yl)-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-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
2-(3,5-dimethyl-1,2-oxazol-4-yl)-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: | S978-0388 |
| Compound Name: | 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one |
| Molecular Weight: | 412.53 |
| Molecular Formula: | C23 H32 N4 O3 |
| Smiles: | Cc1c(CC(N2Cc3cc(CN4CCN(C)CC4)ccc3OC[C@@H]2C)=O)c(C)on1 |
| Stereo: | ABSOLUTE |
| logP: | 2.0275 |
| logD: | 1.2286 |
| logSw: | -2.4814 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.334 |
| InChI Key: | PFODJIZVGCLLDA-INIZCTEOSA-N |