(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-benzamidobenzoate
Chemical Structure Depiction of
(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-benzamidobenzoate
(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-benzamidobenzoate
Compound characteristics
| Compound ID: | G357-2575 |
| Compound Name: | (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-benzamidobenzoate |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C25 H21 N3 O4 S |
| Smiles: | C1CCC2=C(C1)N1C(=NC(COC(c3cccc(c3)NC(c3ccccc3)=O)=O)=CC1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 3.9923 |
| logD: | 3.992 |
| logSw: | -4.2898 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.324 |
| InChI Key: | BMJWWBOBYMWJGS-UHFFFAOYSA-N |