7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylsulfanyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
Chemical Structure Depiction of
7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylsulfanyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylsulfanyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
Compound characteristics
| Compound ID: | Y020-3139 |
| Compound Name: | 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylsulfanyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one |
| Molecular Weight: | 367.38 |
| Molecular Formula: | C17 H13 N5 O3 S |
| Smiles: | CSc1nc2N=CC3=C(C=CN(C3=O)c3ccc4c(c3)OCCO4)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 1.2021 |
| logD: | 1.2021 |
| logSw: | -2.3847 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.908 |
| InChI Key: | ULEBHTOTFCUTFK-UHFFFAOYSA-N |