4-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1,2-thiazole-3-carboxamide
Chemical Structure Depiction of
4-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1,2-thiazole-3-carboxamide
4-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1,2-thiazole-3-carboxamide
Compound characteristics
Compound ID: | M050-0588 |
Compound Name: | 4-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1,2-thiazole-3-carboxamide |
Molecular Weight: | 467.51 |
Molecular Formula: | C21 H21 N7 O4 S |
Smiles: | C(c1ccc2c(c1)OCO2)NC(c1c(c(C(N2CCN(CC2)c2ncccn2)=O)sn1)N)=O |
Stereo: | ACHIRAL |
logP: | 1.7473 |
logD: | 1.7473 |
logSw: | -2.6178 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 110.686 |
InChI Key: | BVCRDBUXIDRIND-UHFFFAOYSA-N |