N-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide
Chemical Structure Depiction of
N-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide
N-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide
Compound characteristics
| Compound ID: | G755-0705 |
| Compound Name: | N-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide |
| Molecular Weight: | 447.9 |
| Molecular Formula: | C18 H11 Cl F N5 O2 S2 |
| Smiles: | C(C1=CC(N2C=C(C=CC2=N1)[Cl])=O)Sc1nnc(NC(c2cccc(c2)F)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.3018 |
| logD: | 3.0305 |
| logSw: | -3.8373 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.469 |
| InChI Key: | QASDFNYVDDXQRB-UHFFFAOYSA-N |