4-methoxy-N-(5-{[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Chemical Structure Depiction of
4-methoxy-N-(5-{[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
4-methoxy-N-(5-{[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Compound characteristics
| Compound ID: | G755-0406 |
| Compound Name: | 4-methoxy-N-(5-{[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide |
| Molecular Weight: | 439.51 |
| Molecular Formula: | C20 H17 N5 O3 S2 |
| Smiles: | CC1C=CN2C(C=1)=NC(CSc1nnc(NC(c3ccc(cc3)OC)=O)s1)=CC2=O |
| Stereo: | ACHIRAL |
| logP: | 3.2786 |
| logD: | 3.2556 |
| logSw: | -3.5599 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.494 |
| InChI Key: | VLCRXPOVCSMTPA-UHFFFAOYSA-N |