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-methylpiperidine-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-methylpiperidine-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-methylpiperidine-3-carboxamide
Compound characteristics
| Compound ID: | L864-1530 |
| 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-methylpiperidine-3-carboxamide |
| Molecular Weight: | 470.51 |
| Molecular Formula: | C21 H22 N6 O5 S |
| Smiles: | CNC(C1CCCN(C1)c1nc2c(C(N(CC(Nc3ccc4c(c3)OCO4)=O)C=N2)=O)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4087 |
| logD: | 1.4087 |
| logSw: | -2.5118 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.221 |
| InChI Key: | KVRGWNBLNXFRKZ-LBPRGKRZSA-N |