N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]acetamide
Chemical Structure Depiction of
N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]acetamide
N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]acetamide
Compound characteristics
| Compound ID: | G072-1904 |
| Compound Name: | N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]acetamide |
| Molecular Weight: | 431.56 |
| Molecular Formula: | C18 H17 N5 O2 S3 |
| Smiles: | CC(C)C1=NN2C(=NC(CSc3nc4ccc(cc4s3)NC(C)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.745 |
| logD: | 3.7409 |
| logSw: | -3.9282 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.614 |
| InChI Key: | OFLNPYXRAGNPQF-UHFFFAOYSA-N |