1-{6-[2-(3-chloroanilino)-2-oxoethyl]-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl}-N-ethylpiperidine-4-carboxamide
Chemical Structure Depiction of
1-{6-[2-(3-chloroanilino)-2-oxoethyl]-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl}-N-ethylpiperidine-4-carboxamide
1-{6-[2-(3-chloroanilino)-2-oxoethyl]-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl}-N-ethylpiperidine-4-carboxamide
Compound characteristics
| Compound ID: | L865-1660 |
| Compound Name: | 1-{6-[2-(3-chloroanilino)-2-oxoethyl]-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl}-N-ethylpiperidine-4-carboxamide |
| Molecular Weight: | 474.97 |
| Molecular Formula: | C21 H23 Cl N6 O3 S |
| Smiles: | CCNC(C1CCN(CC1)c1nc2c(C(N(CC(Nc3cccc(c3)[Cl])=O)C=N2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7956 |
| logD: | 2.7955 |
| logSw: | -3.4034 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.648 |
| InChI Key: | KOMRDNBMCRAUBY-UHFFFAOYSA-N |