N-[(3-chloro-4-fluorophenyl)methyl]-1-(7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(3-chloro-4-fluorophenyl)methyl]-1-(7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl)piperidine-4-carboxamide
N-[(3-chloro-4-fluorophenyl)methyl]-1-(7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | L865-0163 |
| Compound Name: | N-[(3-chloro-4-fluorophenyl)methyl]-1-(7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl)piperidine-4-carboxamide |
| Molecular Weight: | 421.88 |
| Molecular Formula: | C18 H17 Cl F N5 O2 S |
| Smiles: | C1CN(CCC1C(NCc1ccc(c(c1)[Cl])F)=O)c1nc2c(C(NC=N2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.0978 |
| logD: | 2.0949 |
| logSw: | -3.0484 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.197 |
| InChI Key: | YYKCEYBZVDSBBR-UHFFFAOYSA-N |