7-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C679-2693 |
| Compound Name: | 7-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 414.55 |
| Molecular Formula: | C17 H10 N4 O S4 |
| Smiles: | C(C1=CC(N2C(=N1)SC(c1cccs1)=N2)=O)Sc1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.602 |
| logD: | 4.602 |
| logSw: | -4.6493 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.099 |
| InChI Key: | NTZHERYCTHJAOF-UHFFFAOYSA-N |