2-{[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-3,4-dihydronaphthalen-1(2H)-one
Chemical Structure Depiction of
2-{[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-3,4-dihydronaphthalen-1(2H)-one
2-{[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-3,4-dihydronaphthalen-1(2H)-one
Compound characteristics
| Compound ID: | 8012-2857 |
| Compound Name: | 2-{[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-3,4-dihydronaphthalen-1(2H)-one |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C18 H21 N7 O S |
| Smiles: | CCNc1nc(NCC)n2c(nnc2n1)SC1CCc2ccccc2C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2691 |
| logD: | 3.2564 |
| logSw: | -3.5501 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.076 |
| InChI Key: | RPZSRYQSBVMZGH-ZDUSSCGKSA-N |