N-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2H-1,3-benzodioxole-5-carboxamide
N-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | G072-2475 |
| Compound Name: | N-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 443.46 |
| Molecular Formula: | C18 H13 N5 O5 S2 |
| Smiles: | CC1=CC2=NC(CSc3nnc(NC(c4ccc5c(c4)OCO5)=O)s3)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.482 |
| logD: | 2.4762 |
| logSw: | -2.9386 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.543 |
| InChI Key: | JDSXZCRHWGIYPF-UHFFFAOYSA-N |