N-(5-{[(5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(5-{[(5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2H-1,3-benzodioxole-5-carboxamide
N-(5-{[(5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | G072-2142 |
| Compound Name: | N-(5-{[(5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 445.5 |
| Molecular Formula: | C17 H11 N5 O4 S3 |
| Smiles: | C1Oc2ccc(cc2O1)C(Nc1nnc(SCC2=CC(N3C=CSC3=N2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5232 |
| logD: | 2.5174 |
| logSw: | -2.9664 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.035 |
| InChI Key: | CBTSVJAPOHFCIR-UHFFFAOYSA-N |