N-(3-chloro-4-fluorophenyl)-N'-(5-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-N'-(5-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
N-(3-chloro-4-fluorophenyl)-N'-(5-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
Compound characteristics
| Compound ID: | G755-0346 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-N'-(5-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea |
| Molecular Weight: | 476.94 |
| Molecular Formula: | C19 H14 Cl F N6 O2 S2 |
| Smiles: | CC1=CC=CN2C1=NC(CSc1nnc(NC(Nc3ccc(c(c3)[Cl])F)=O)s1)=CC2=O |
| Stereo: | ACHIRAL |
| logP: | 4.5658 |
| logD: | 4.5642 |
| logSw: | -4.6484 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.183 |
| InChI Key: | TXKVSLGPIAENGY-UHFFFAOYSA-N |