2-(ethylsulfanyl)-7-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-(ethylsulfanyl)-7-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-(ethylsulfanyl)-7-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C679-2583 |
| Compound Name: | 2-(ethylsulfanyl)-7-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 367.47 |
| Molecular Formula: | C13 H13 N5 O2 S3 |
| Smiles: | CCSC1=NN2C(=NC(CSC3NC(C=C(C)N=3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 1.8888 |
| logD: | 1.0864 |
| logSw: | -2.4555 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.023 |
| InChI Key: | RQDOZFQGIPKHRR-UHFFFAOYSA-N |