N-(5-{[(3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
Chemical Structure Depiction of
N-(5-{[(3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
N-(5-{[(3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
Compound characteristics
| Compound ID: | G072-2240 |
| Compound Name: | N-(5-{[(3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide |
| Molecular Weight: | 443.57 |
| Molecular Formula: | C19 H17 N5 O2 S3 |
| Smiles: | CC1=CSC2=NC(CSc3nnc(NC(CCc4ccccc4)=O)s3)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5173 |
| logD: | 3.5114 |
| logSw: | -3.7863 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.371 |
| InChI Key: | BBKMNOCSXAORTC-UHFFFAOYSA-N |