N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L966-0054 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 492.57 |
| Molecular Formula: | C24 H20 N4 O4 S2 |
| Smiles: | Cc1c(C2=CC(NC(=N2)SCC(Nc2ccc3c(c2)OCCO3)=O)=O)sc(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.0924 |
| logD: | 2.7726 |
| logSw: | -3.3833 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.813 |
| InChI Key: | XHNNOYGIRQWKKI-UHFFFAOYSA-N |