1-[6-(2-{[(4-chlorophenyl)methyl]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-{[(4-chlorophenyl)methyl]amino}-2-oxoethyl)-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide
1-[6-(2-{[(4-chlorophenyl)methyl]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: | L864-1580 |
| Compound Name: | 1-[6-(2-{[(4-chlorophenyl)methyl]amino}-2-oxoethyl)-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide |
| Molecular Weight: | 474.97 |
| Molecular Formula: | C21 H23 Cl N6 O3 S |
| Smiles: | CNC(C1CCCN(C1)c1nc2c(C(N(CC(NCc3ccc(cc3)[Cl])=O)C=N2)=O)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7481 |
| logD: | 1.7481 |
| logSw: | -2.916 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.428 |
| InChI Key: | ITKNNINOEQKPMF-AWEZNQCLSA-N |