2-methyl-7-{[(4-methylphenyl)sulfanyl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-methyl-7-{[(4-methylphenyl)sulfanyl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-methyl-7-{[(4-methylphenyl)sulfanyl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C679-2537 |
| Compound Name: | 2-methyl-7-{[(4-methylphenyl)sulfanyl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 303.4 |
| Molecular Formula: | C14 H13 N3 O S2 |
| Smiles: | CC1=NN2C(=NC(CSc3ccc(C)cc3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.3401 |
| logD: | 3.3376 |
| logSw: | -3.5297 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 37.444 |
| InChI Key: | DREVJOXQUXAEKZ-UHFFFAOYSA-N |