7-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C679-3295 |
| Compound Name: | 7-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 360.48 |
| Molecular Formula: | C15 H12 N4 O S3 |
| Smiles: | CCC1=NN2C(=NC(CSc3nc4ccccc4s3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.9802 |
| logD: | 3.9771 |
| logSw: | -4.0588 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.256 |
| InChI Key: | KUALLDFFDRVZLE-UHFFFAOYSA-N |