2-{6-[(3-methylphenyl)methyl]-5,7-dioxo-6,7-dihydro[1,2]thiazolo[4,3-d]pyrimidin-4(5H)-yl}-N-[(thiophen-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{6-[(3-methylphenyl)methyl]-5,7-dioxo-6,7-dihydro[1,2]thiazolo[4,3-d]pyrimidin-4(5H)-yl}-N-[(thiophen-2-yl)methyl]acetamide
2-{6-[(3-methylphenyl)methyl]-5,7-dioxo-6,7-dihydro[1,2]thiazolo[4,3-d]pyrimidin-4(5H)-yl}-N-[(thiophen-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | M867-0233 |
| Compound Name: | 2-{6-[(3-methylphenyl)methyl]-5,7-dioxo-6,7-dihydro[1,2]thiazolo[4,3-d]pyrimidin-4(5H)-yl}-N-[(thiophen-2-yl)methyl]acetamide |
| Molecular Weight: | 426.51 |
| Molecular Formula: | C20 H18 N4 O3 S2 |
| Smiles: | Cc1cccc(CN2C(c3c(csn3)N(CC(NCc3cccs3)=O)C2=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.5911 |
| logD: | 3.5911 |
| logSw: | -3.8085 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.848 |
| InChI Key: | DKKARBHLNGKTAN-UHFFFAOYSA-N |