7-{[(1,3-benzothiazol-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-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-[(propan-2-yl)sulfanyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-[(propan-2-yl)sulfanyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C679-3345 |
| Compound Name: | 7-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-[(propan-2-yl)sulfanyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 406.57 |
| Molecular Formula: | C16 H14 N4 O S4 |
| Smiles: | CC(C)SC1=NN2C(=NC(CSc3nc4ccccc4s3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 5.0743 |
| logD: | 5.0741 |
| logSw: | -4.7456 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 47.772 |
| InChI Key: | VBPPVBHPWAPRTH-UHFFFAOYSA-N |