N-(2-{[(3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-{[(3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-{[(3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | G072-1375 |
| Compound Name: | N-(2-{[(3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 451.52 |
| Molecular Formula: | C22 H17 N3 O4 S2 |
| Smiles: | CC1=CSC2=NC(CSc3ccccc3NC(c3ccc4c(c3)OCO4)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3784 |
| logD: | 3.3784 |
| logSw: | -3.7033 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.096 |
| InChI Key: | HQMVRJAEUASPRP-UHFFFAOYSA-N |