N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(ethylsulfanyl)-5,7-dioxo-6-phenyl-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(ethylsulfanyl)-5,7-dioxo-6-phenyl-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(ethylsulfanyl)-5,7-dioxo-6-phenyl-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamide
Compound characteristics
| Compound ID: | L863-2120 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(ethylsulfanyl)-5,7-dioxo-6-phenyl-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamide |
| Molecular Weight: | 496.56 |
| Molecular Formula: | C23 H20 N4 O5 S2 |
| Smiles: | CCSc1nc2c(C(N(C(N2CC(NCc2ccc3c(c2)OCO3)=O)=O)c2ccccc2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.7657 |
| logD: | 3.7657 |
| logSw: | -3.7897 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.892 |
| InChI Key: | DZCZIUHGSADJPW-UHFFFAOYSA-N |