3-methyl-2-{[(2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-methyl-2-{[(2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-methyl-2-{[(2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C679-2213 |
| Compound Name: | 3-methyl-2-{[(2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 430.57 |
| Molecular Formula: | C19 H18 N4 O2 S3 |
| Smiles: | CC1=CN2C(=NC(CSC3=Nc4c(C(N3C)=O)c3CCCCc3s4)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.9089 |
| logD: | 2.9089 |
| logSw: | -3.1502 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.105 |
| InChI Key: | POQVQCYVKSFKGJ-UHFFFAOYSA-N |