1-{6-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl}-N-ethylpiperidine-3-carboxamide
Chemical Structure Depiction of
1-{6-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl}-N-ethylpiperidine-3-carboxamide
1-{6-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl}-N-ethylpiperidine-3-carboxamide
Compound characteristics
| Compound ID: | L864-1702 |
| Compound Name: | 1-{6-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl}-N-ethylpiperidine-3-carboxamide |
| Molecular Weight: | 492.96 |
| Molecular Formula: | C21 H22 Cl F N6 O3 S |
| Smiles: | CCNC(C1CCCN(C1)c1nc2c(C(N(CC(Nc3ccc(cc3[Cl])F)=O)C=N2)=O)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4578 |
| logD: | 2.4514 |
| logSw: | -3.3389 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.883 |
| InChI Key: | FLLIESSJUQSRPX-LBPRGKRZSA-N |