(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-(4-chlorobenzamido)benzoate
Chemical Structure Depiction of
(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-(4-chlorobenzamido)benzoate
(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-(4-chlorobenzamido)benzoate
Compound characteristics
| Compound ID: | G357-2577 |
| Compound Name: | (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-(4-chlorobenzamido)benzoate |
| Molecular Weight: | 493.97 |
| Molecular Formula: | C25 H20 Cl N3 O4 S |
| Smiles: | C1CCC2=C(C1)N1C(=NC(COC(c3cccc(c3)NC(c3ccc(cc3)[Cl])=O)=O)=CC1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 4.692 |
| logD: | 4.6899 |
| logSw: | -4.994 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.324 |
| InChI Key: | FTJYOQYSJOCRST-UHFFFAOYSA-N |