2-{[benzyl(propyl)amino]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Chemical Structure Depiction of
2-{[benzyl(propyl)amino]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
2-{[benzyl(propyl)amino]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Compound characteristics
| Compound ID: | G769-0238 |
| Compound Name: | 2-{[benzyl(propyl)amino]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one |
| Molecular Weight: | 367.51 |
| Molecular Formula: | C21 H25 N3 O S |
| Smiles: | CCCN(CC1=CC(N2C3CCCCC=3SC2=N1)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4479 |
| logD: | 2.9764 |
| logSw: | -3.6595 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 30.065 |
| InChI Key: | PXEXXVMRAOACLL-UHFFFAOYSA-N |