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}cyclopropanecarboxamide
Chemical Structure Depiction of
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}cyclopropanecarboxamide
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}cyclopropanecarboxamide
Compound characteristics
| Compound ID: | F599-0309 |
| Compound Name: | 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}cyclopropanecarboxamide |
| Molecular Weight: | 393.44 |
| Molecular Formula: | C14 H15 N7 O3 S2 |
| Smiles: | CN1C(c2c(nc(n2C)Sc2nnc(NC(C3CC3)=O)s2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.456 |
| logD: | 2.4546 |
| logSw: | -2.7558 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.617 |
| InChI Key: | UPCFBBZEPYIDJF-UHFFFAOYSA-N |