3-methyl-N-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Chemical Structure Depiction of
3-methyl-N-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
3-methyl-N-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Compound characteristics
| Compound ID: | G072-2450 |
| Compound Name: | 3-methyl-N-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide |
| Molecular Weight: | 413.47 |
| Molecular Formula: | C18 H15 N5 O3 S2 |
| Smiles: | CC1=CC2=NC(CSc3nnc(NC(c4cccc(C)c4)=O)s3)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9307 |
| logD: | 2.7913 |
| logSw: | -3.3127 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.428 |
| InChI Key: | JHQUNUQJHNFIRV-UHFFFAOYSA-N |