{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone
Compound characteristics
| Compound ID: | E920-0108 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone |
| Molecular Weight: | 383.45 |
| Molecular Formula: | C21 H25 N3 O4 |
| Smiles: | C1CCc2c(C(N3CCN(CC3)Cc3ccc4c(c3)OCO4)=O)noc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.6704 |
| logD: | 2.4771 |
| logSw: | -2.8509 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.273 |
| InChI Key: | SQIHNFIVAVSSRT-UHFFFAOYSA-N |