1-(6-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-cyclopropylpiperidine-3-carboxamide
Chemical Structure Depiction of
1-(6-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-cyclopropylpiperidine-3-carboxamide
1-(6-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-cyclopropylpiperidine-3-carboxamide
Compound characteristics
| Compound ID: | L864-2826 |
| Compound Name: | 1-(6-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-cyclopropylpiperidine-3-carboxamide |
| Molecular Weight: | 496.54 |
| Molecular Formula: | C23 H24 N6 O5 S |
| Smiles: | C1CC(CN(C1)c1nc2c(C(N(CC(Nc3ccc4c(c3)OCO4)=O)C=N2)=O)s1)C(NC1CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9707 |
| logD: | 1.9707 |
| logSw: | -2.8683 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.855 |
| InChI Key: | JLKAGOCPXQKFEV-ZDUSSCGKSA-N |