N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)thiophene-2-carboxamide
N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | G072-1543 |
| Compound Name: | N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)thiophene-2-carboxamide |
| Molecular Weight: | 453.6 |
| Molecular Formula: | C22 H19 N3 O2 S3 |
| Smiles: | C1CCC2=C(C1)N1C(=NC(CSc3ccccc3NC(c3cccs3)=O)=CC1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 3.9812 |
| logD: | 3.9812 |
| logSw: | -4.2076 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.515 |
| InChI Key: | ZIVIEVQWLLLKAB-UHFFFAOYSA-N |