N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)-2-phenoxyacetamide
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)-2-phenoxyacetamide
N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)-2-phenoxyacetamide
Compound characteristics
| Compound ID: | G072-1558 |
| Compound Name: | N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)-2-phenoxyacetamide |
| Molecular Weight: | 477.6 |
| Molecular Formula: | C25 H23 N3 O3 S2 |
| Smiles: | C1CCC2=C(C1)N1C(=NC(CSc3ccccc3NC(COc3ccccc3)=O)=CC1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 3.8762 |
| logD: | 3.8762 |
| logSw: | -4.0748 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.782 |
| InChI Key: | UPJQIHBUNRHTKX-UHFFFAOYSA-N |