3-[(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-[(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y500-4212 |
| Compound Name: | 3-[(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 448.57 |
| Molecular Formula: | C22 H20 N6 O S2 |
| Smiles: | C1CCc2c(C1)c1C(N(Cc3nc4c5c6CCCCc6sc5N=Cn4n3)C=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5984 |
| logD: | 3.5976 |
| logSw: | -3.8851 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.761 |
| InChI Key: | JPGMGWMIMHYEKQ-UHFFFAOYSA-N |