N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-{4-[(5,6-dimethyl[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-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}urea
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-{4-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}urea
Compound characteristics
| Compound ID: | L282-0129 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-{4-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}urea |
| Molecular Weight: | 448.5 |
| Molecular Formula: | C22 H20 N6 O3 S |
| Smiles: | Cc1c(C)nc2ncnn2c1Sc1ccc(cc1)NC(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4877 |
| logD: | 3.4876 |
| logSw: | -3.8731 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.422 |
| InChI Key: | IVRTYBDAGWYPMG-UHFFFAOYSA-N |