2-({[2-(ethylsulfanyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-({[2-(ethylsulfanyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-({[2-(ethylsulfanyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C679-2587 |
| Compound Name: | 2-({[2-(ethylsulfanyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 477.65 |
| Molecular Formula: | C19 H19 N5 O2 S4 |
| Smiles: | CCSC1=NN2C(=NC(CSC3=Nc4c(C(N3C)=O)c3CCCCc3s4)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.1303 |
| logD: | 4.13 |
| logSw: | -4.1783 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 64.354 |
| InChI Key: | ZYYMKMLKJAPAOI-UHFFFAOYSA-N |