N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
Compound characteristics
Compound ID: | C540-0384 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide |
Molecular Weight: | 436.44 |
Molecular Formula: | C21 H16 N4 O5 S |
Smiles: | Cc1c(C(NCc2ccc3c(c2)OCO3)=O)sc2nc(cn12)c1cccc(c1)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 3.967 |
logD: | 3.9669 |
logSw: | -4.023 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 84.352 |
InChI Key: | ZWRHXXVQQLRRRM-UHFFFAOYSA-N |