N-{5-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}furan-2-carboxamide
Chemical Structure Depiction of
N-{5-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}furan-2-carboxamide
N-{5-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}furan-2-carboxamide
Compound characteristics
| Compound ID: | C301-8968 |
| Compound Name: | N-{5-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}furan-2-carboxamide |
| Molecular Weight: | 419.44 |
| Molecular Formula: | C15 H13 N7 O4 S2 |
| Smiles: | CN1C(c2c(N(C)C1=O)n(C)c(n2)Sc1nnc(NC(c2ccco2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4669 |
| logD: | 2.4512 |
| logSw: | -2.9241 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.615 |
| InChI Key: | SJLWHUVIIKJWKL-UHFFFAOYSA-N |