1-[6-(2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl)-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-(propan-2-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
1-[6-(2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl)-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-(propan-2-yl)piperidine-4-carboxamide
1-[6-(2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl)-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-(propan-2-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | L865-2011 |
| Compound Name: | 1-[6-(2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl)-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-(propan-2-yl)piperidine-4-carboxamide |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C24 H30 N6 O4 S |
| Smiles: | CC(C)NC(C1CCN(CC1)c1nc2c(C(N(CC(NCc3cccc(c3)OC)=O)C=N2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0714 |
| logD: | 2.0714 |
| logSw: | -2.7226 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.862 |
| InChI Key: | PTJYQEUFWKAKFV-UHFFFAOYSA-N |