N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-{5-[(5-ethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-{5-[(5-ethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-{5-[(5-ethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea
Compound characteristics
| Compound ID: | L150-0036 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-{5-[(5-ethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea |
| Molecular Weight: | 456.5 |
| Molecular Formula: | C18 H16 N8 O3 S2 |
| Smiles: | CCc1cc(n2c(ncn2)n1)Sc1nnc(NC(Nc2ccc3c(c2)OCCO3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.1496 |
| logD: | 3.1495 |
| logSw: | -3.3518 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.47 |
| InChI Key: | RKVQYWNBDAWRBK-UHFFFAOYSA-N |