7-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}-2-[(propan-2-yl)sulfanyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}-2-[(propan-2-yl)sulfanyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}-2-[(propan-2-yl)sulfanyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C679-2594 |
| Compound Name: | 7-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}-2-[(propan-2-yl)sulfanyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 381.49 |
| Molecular Formula: | C14 H15 N5 O2 S3 |
| Smiles: | CC(C)SC1=NN2C(=NC(CSC3NC(C=C(C)N=3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.2787 |
| logD: | 1.4763 |
| logSw: | -2.5916 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.023 |
| InChI Key: | BVLJOUPZCAGOAU-UHFFFAOYSA-N |