(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl (phenylsulfanyl)acetate
Chemical Structure Depiction of
(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl (phenylsulfanyl)acetate
(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl (phenylsulfanyl)acetate
Compound characteristics
| Compound ID: | G265-0652 |
| Compound Name: | (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl (phenylsulfanyl)acetate |
| Molecular Weight: | 386.49 |
| Molecular Formula: | C19 H18 N2 O3 S2 |
| Smiles: | C1CCC2=C(C1)N1C(=NC(COC(CSc3ccccc3)=O)=CC1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 3.0233 |
| logD: | 3.0233 |
| logSw: | -3.3533 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 46.638 |
| InChI Key: | IGBKSYFDHMJHMK-UHFFFAOYSA-N |