N-(5-{[(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
Chemical Structure Depiction of
N-(5-{[(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
N-(5-{[(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
Compound characteristics
| Compound ID: | G072-2019 |
| Compound Name: | N-(5-{[(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide |
| Molecular Weight: | 460.53 |
| Molecular Formula: | C18 H13 F N6 O2 S3 |
| Smiles: | C1CC1C1=NN2C(=NC(CSc3nnc(NC(c4ccc(cc4)F)=O)s3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.9467 |
| logD: | 3.6526 |
| logSw: | -4.239 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.52 |
| InChI Key: | WVZDTLAKWUUBLC-UHFFFAOYSA-N |