N-(5-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
Chemical Structure Depiction of
N-(5-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
N-(5-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
Compound characteristics
| Compound ID: | G072-2360 |
| Compound Name: | N-(5-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide |
| Molecular Weight: | 421.56 |
| Molecular Formula: | C17 H19 N5 O2 S3 |
| Smiles: | CCCC(Nc1nnc(SCC2=CC(N3C4CCCCC=4SC3=N2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1091 |
| logD: | 3.1068 |
| logSw: | -3.2225 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.159 |
| InChI Key: | HACYWKGAFMWICJ-UHFFFAOYSA-N |