N-(2,3-dihydro-1,4-benzodioxin-6-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}urea
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-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}urea
N-(2,3-dihydro-1,4-benzodioxin-6-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}urea
Compound characteristics
| Compound ID: | C301-9069 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-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}urea |
| Molecular Weight: | 502.53 |
| Molecular Formula: | C19 H18 N8 O5 S2 |
| Smiles: | CN1C(c2c(nc(n2C)Sc2nnc(NC(Nc3ccc4c(c3)OCCO4)=O)s2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6545 |
| logD: | 2.6544 |
| logSw: | -3.2163 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.128 |
| InChI Key: | CIZDNLFSLTWLDD-UHFFFAOYSA-N |