1-{6-[2-(3-chloro-4-fluoroanilino)-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-(3-chloro-4-fluoroanilino)-2-oxoethyl]-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl}-N-methylpiperidine-3-carboxamide
1-{6-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl}-N-methylpiperidine-3-carboxamide
Compound characteristics
| Compound ID: | L864-1608 |
| Compound Name: | 1-{6-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl}-N-methylpiperidine-3-carboxamide |
| Molecular Weight: | 478.93 |
| Molecular Formula: | C20 H20 Cl F N6 O3 S |
| Smiles: | CNC(C1CCCN(C1)c1nc2c(C(N(CC(Nc3ccc(c(c3)[Cl])F)=O)C=N2)=O)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3058 |
| logD: | 2.2995 |
| logSw: | -3.339 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.106 |
| InChI Key: | LQRKFWZHMNAFLS-NSHDSACASA-N |