11-(morpholin-4-yl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline-3-thiol
Chemical Structure Depiction of
11-(morpholin-4-yl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline-3-thiol
11-(morpholin-4-yl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline-3-thiol
Compound characteristics
| Compound ID: | 8016-9920 |
| Compound Name: | 11-(morpholin-4-yl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline-3-thiol |
| Molecular Weight: | 398.51 |
| Molecular Formula: | C18 H18 N6 O S2 |
| Smiles: | C1CCc2c(C1)c1c3c(c4nnc(n4C=N3)S)sc1nc2N1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 3.0644 |
| logD: | 2.9579 |
| logSw: | -3.407 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.44 |
| InChI Key: | IVMMMABAEZFXNC-UHFFFAOYSA-N |