(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-butanamidobenzoate
Chemical Structure Depiction of
(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-butanamidobenzoate
(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-butanamidobenzoate
Compound characteristics
| Compound ID: | G357-2586 |
| Compound Name: | (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-butanamidobenzoate |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C22 H23 N3 O4 S |
| Smiles: | CCCC(Nc1cccc(c1)C(=O)OCC1=CC(N2C3CCCCC=3SC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4525 |
| logD: | 3.4525 |
| logSw: | -3.7454 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.382 |
| InChI Key: | BGOSCCBRTHDHDH-UHFFFAOYSA-N |