1-{6-[2-(4-chloroanilino)-2-oxoethyl]-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl}-N-propylpiperidine-3-carboxamide
Chemical Structure Depiction of
1-{6-[2-(4-chloroanilino)-2-oxoethyl]-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl}-N-propylpiperidine-3-carboxamide
1-{6-[2-(4-chloroanilino)-2-oxoethyl]-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl}-N-propylpiperidine-3-carboxamide
Compound characteristics
| Compound ID: | L864-1806 |
| Compound Name: | 1-{6-[2-(4-chloroanilino)-2-oxoethyl]-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl}-N-propylpiperidine-3-carboxamide |
| Molecular Weight: | 488.99 |
| Molecular Formula: | C22 H25 Cl N6 O3 S |
| Smiles: | CCCNC(C1CCCN(C1)c1nc2c(C(N(CC(Nc3ccc(cc3)[Cl])=O)C=N2)=O)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0856 |
| logD: | 3.0855 |
| logSw: | -3.4928 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.797 |
| InChI Key: | AKCULDCMTCNUMT-AWEZNQCLSA-N |