N-(2H-1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Compound characteristics
Compound ID: | D358-1186 |
Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide |
Molecular Weight: | 421.43 |
Molecular Formula: | C21 H15 N3 O5 S |
Smiles: | COc1cccc(c1)C1=CSC2=NC=C(C(Nc3ccc4c(c3)OCO4)=O)C(N12)=O |
Stereo: | ACHIRAL |
logP: | 3.0302 |
logD: | 1.5546 |
logSw: | -3.5416 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 72.995 |
InChI Key: | FQBVDGPOKHAGKR-UHFFFAOYSA-N |