N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-[5-(tert-butylamino)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N~2~-methylglycinamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-[5-(tert-butylamino)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N~2~-methylglycinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-[5-(tert-butylamino)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N~2~-methylglycinamide
Compound characteristics
| Compound ID: | F449-2968 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-[5-(tert-butylamino)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N~2~-methylglycinamide |
| Molecular Weight: | 510.59 |
| Molecular Formula: | C25 H27 F N6 O3 S |
| Smiles: | CC(C)(C)Nc1c(c2ccc(cc2)F)nc2n1nc(N(C)CC(NCc1ccc3c(c1)OCO3)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.5376 |
| logD: | 4.5376 |
| logSw: | -4.3278 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.869 |
| InChI Key: | AWMRIJCQVRFRTF-UHFFFAOYSA-N |