{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]methanone
Compound characteristics
| Compound ID: | G609-0581 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]methanone |
| Molecular Weight: | 455.51 |
| Molecular Formula: | C27 H25 N3 O4 |
| Smiles: | Cc1ccc(cc1)c1c2cc(ccc2no1)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4835 |
| logD: | 4.2919 |
| logSw: | -4.2996 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.026 |
| InChI Key: | BVRSRUMJGZYTFI-UHFFFAOYSA-N |