N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-{4-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}urea
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-{4-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}urea
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-{4-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}urea
Compound characteristics
| Compound ID: | L282-0201 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-{4-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}urea |
| Molecular Weight: | 462.53 |
| Molecular Formula: | C23 H22 N6 O3 S |
| Smiles: | CCc1c(C)nc2ncnn2c1Sc1ccc(cc1)NC(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9863 |
| logD: | 3.9862 |
| logSw: | -4.0806 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.422 |
| InChI Key: | KCVYXXODWJOSBB-UHFFFAOYSA-N |