(furan-2-yl)[(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone
Chemical Structure Depiction of
(furan-2-yl)[(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone
(furan-2-yl)[(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone
Compound characteristics
| Compound ID: | S978-0368 |
| Compound Name: | (furan-2-yl)[(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone |
| Molecular Weight: | 369.46 |
| Molecular Formula: | C21 H27 N3 O3 |
| Smiles: | C[C@H]1COc2ccc(CN3CCN(C)CC3)cc2CN1C(c1ccco1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.0475 |
| logD: | 1.2486 |
| logSw: | -2.5382 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.402 |
| InChI Key: | KHRXKMWHORWYMW-INIZCTEOSA-N |