{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4,5-dihydrothieno[2,3-g][1,2]benzoxazol-3-yl)methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4,5-dihydrothieno[2,3-g][1,2]benzoxazol-3-yl)methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4,5-dihydrothieno[2,3-g][1,2]benzoxazol-3-yl)methanone
Compound characteristics
| Compound ID: | G213-0077 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4,5-dihydrothieno[2,3-g][1,2]benzoxazol-3-yl)methanone |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C22 H21 N3 O4 S |
| Smiles: | C1Cc2c(ccs2)c2c1c(C(N1CCN(CC1)Cc1ccc3c(c1)OCO3)=O)no2 |
| Stereo: | ACHIRAL |
| logP: | 3.1845 |
| logD: | 2.9912 |
| logSw: | -3.4164 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.642 |
| InChI Key: | MBZYCGYJTHZQEN-UHFFFAOYSA-N |