{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
Compound characteristics
| Compound ID: | E920-0628 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone |
| Molecular Weight: | 383.45 |
| Molecular Formula: | C21 H25 N3 O4 |
| Smiles: | CC1CCc2c(C1)c(C(N1CCN(CC1)Cc1ccc3c(c1)OCO3)=O)no2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7153 |
| logD: | 2.522 |
| logSw: | -3.0105 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.943 |
| InChI Key: | NJEKDSUJWHVAHY-CQSZACIVSA-N |