N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
Chemical Structure Depiction of
N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
Compound characteristics
| Compound ID: | G072-1930 |
| Compound Name: | N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide |
| Molecular Weight: | 431.56 |
| Molecular Formula: | C18 H17 N5 O2 S3 |
| Smiles: | CCC1=NN2C(=NC(CSc3nc4ccc(cc4s3)NC(CC)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.7985 |
| logD: | 3.7954 |
| logSw: | -3.9122 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.405 |
| InChI Key: | NSWPMWCSHNLYTL-UHFFFAOYSA-N |