2,2-dimethyl-N-(2-{[(2-methyl-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
2,2-dimethyl-N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
2,2-dimethyl-N-(2-{[(2-methyl-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: | G072-1838 |
| Compound Name: | 2,2-dimethyl-N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C19 H19 N5 O2 S3 |
| Smiles: | CC1=NN2C(=NC(CSc3nc4ccc(cc4s3)NC(C(C)(C)C)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.1402 |
| logD: | 4.1377 |
| logSw: | -4.2352 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.888 |
| InChI Key: | DMTSDGNYOBQYHY-UHFFFAOYSA-N |