cyclobutyl[(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone
Chemical Structure Depiction of
cyclobutyl[(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone
cyclobutyl[(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone
Compound characteristics
| Compound ID: | S978-0326 |
| Compound Name: | cyclobutyl[(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone |
| Molecular Weight: | 357.5 |
| Molecular Formula: | C21 H31 N3 O2 |
| Smiles: | C[C@H]1COc2ccc(CN3CCN(C)CC3)cc2CN1C(C1CCC1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.9262 |
| logD: | 1.1273 |
| logSw: | -2.4566 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.346 |
| InChI Key: | LPTMJYHBGBVDPM-INIZCTEOSA-N |