2-(thiophen-2-yl)-N-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide
Chemical Structure Depiction of
2-(thiophen-2-yl)-N-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide
2-(thiophen-2-yl)-N-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide
Compound characteristics
| Compound ID: | F599-0306 |
| Compound Name: | 2-(thiophen-2-yl)-N-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C16 H15 N7 O3 S3 |
| Smiles: | CN1C(c2c(nc(n2C)Sc2nnc(NC(Cc3cccs3)=O)s2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5075 |
| logD: | 2.5051 |
| logSw: | -2.8628 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.898 |
| InChI Key: | AEJCYCSWXWKMQO-UHFFFAOYSA-N |