7-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-(4-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-(4-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-(4-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C679-3408 |
| Compound Name: | 7-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-(4-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 438.55 |
| Molecular Formula: | C20 H14 N4 O2 S3 |
| Smiles: | COc1ccc(cc1)C1=NN2C(=NC(CSc3nc4ccccc4s3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.7475 |
| logD: | 4.7473 |
| logSw: | -4.6443 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.624 |
| InChI Key: | MIKYRKAMZPYUBJ-UHFFFAOYSA-N |