2-(1H-imidazol-1-yl)-1-[1'-(2-methoxyethyl)-3H-spiro[[1,4]benzoxazepine-2,4'-piperidin]-4(5H)-yl]ethan-1-one
Chemical Structure Depiction of
2-(1H-imidazol-1-yl)-1-[1'-(2-methoxyethyl)-3H-spiro[[1,4]benzoxazepine-2,4'-piperidin]-4(5H)-yl]ethan-1-one
2-(1H-imidazol-1-yl)-1-[1'-(2-methoxyethyl)-3H-spiro[[1,4]benzoxazepine-2,4'-piperidin]-4(5H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | CM3852-6132 |
| Compound Name: | 2-(1H-imidazol-1-yl)-1-[1'-(2-methoxyethyl)-3H-spiro[[1,4]benzoxazepine-2,4'-piperidin]-4(5H)-yl]ethan-1-one |
| Molecular Weight: | 384.48 |
| Molecular Formula: | C21 H28 N4 O3 |
| Smiles: | COCCN1CCC2(CC1)CN(Cc1ccccc1O2)C(Cn1ccnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0964 |
| logD: | -0.371 |
| logSw: | -1.6896 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.056 |
| InChI Key: | JTNORRGVOKIPKL-UHFFFAOYSA-N |