4-fluoro-N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)benzamide
Chemical Structure Depiction of
4-fluoro-N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)benzamide
4-fluoro-N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)benzamide
Compound characteristics
| Compound ID: | G072-1541 |
| Compound Name: | 4-fluoro-N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)benzamide |
| Molecular Weight: | 465.57 |
| Molecular Formula: | C24 H20 F N3 O2 S2 |
| Smiles: | C1CCC2=C(C1)N1C(=NC(CSc3ccccc3NC(c3ccc(cc3)F)=O)=CC1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 4.0977 |
| logD: | 4.0966 |
| logSw: | -4.3616 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.497 |
| InChI Key: | SMYBRCBQJDUFPN-UHFFFAOYSA-N |