N-(5-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(5-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2H-1,3-benzodioxole-5-carboxamide
N-(5-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | G755-0312 |
| Compound Name: | N-(5-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 453.5 |
| Molecular Formula: | C20 H15 N5 O4 S2 |
| Smiles: | CC1=CC=CN2C1=NC(CSc1nnc(NC(c3ccc4c(c3)OCO4)=O)s1)=CC2=O |
| Stereo: | ACHIRAL |
| logP: | 3.2705 |
| logD: | 3.2647 |
| logSw: | -3.4571 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.087 |
| InChI Key: | ILIKCQPQBVZAEM-UHFFFAOYSA-N |