3-(1H-imidazol-1-yl)-1-[1'-(2-methoxyethyl)-3H-spiro[[1,4]benzoxazepine-2,4'-piperidin]-4(5H)-yl]propan-1-one
Chemical Structure Depiction of
3-(1H-imidazol-1-yl)-1-[1'-(2-methoxyethyl)-3H-spiro[[1,4]benzoxazepine-2,4'-piperidin]-4(5H)-yl]propan-1-one
3-(1H-imidazol-1-yl)-1-[1'-(2-methoxyethyl)-3H-spiro[[1,4]benzoxazepine-2,4'-piperidin]-4(5H)-yl]propan-1-one
Compound characteristics
| Compound ID: | CM3852-6572 |
| Compound Name: | 3-(1H-imidazol-1-yl)-1-[1'-(2-methoxyethyl)-3H-spiro[[1,4]benzoxazepine-2,4'-piperidin]-4(5H)-yl]propan-1-one |
| Molecular Weight: | 398.5 |
| Molecular Formula: | C22 H30 N4 O3 |
| Smiles: | COCCN1CCC2(CC1)CN(Cc1ccccc1O2)C(CCn1ccnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2611 |
| logD: | -0.2063 |
| logSw: | -1.645 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.034 |
| InChI Key: | HKUPPWSOSIVLOH-UHFFFAOYSA-N |