(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2H-1,3-benzodioxole-5-carboxylate
(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | G265-0666 |
| Compound Name: | (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 384.41 |
| Molecular Formula: | C19 H16 N2 O5 S |
| Smiles: | C1CCC2=C(C1)N1C(=NC(COC(c3ccc4c(c3)OCO4)=O)=CC1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 2.8879 |
| logD: | 2.8879 |
| logSw: | -3.3181 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.348 |
| InChI Key: | XRDODXGASXQMSV-UHFFFAOYSA-N |