N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)propanamide
Chemical Structure Depiction of
N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)propanamide
N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)propanamide
Compound characteristics
| Compound ID: | G072-1547 |
| Compound Name: | N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)propanamide |
| Molecular Weight: | 399.53 |
| Molecular Formula: | C20 H21 N3 O2 S2 |
| Smiles: | CCC(Nc1ccccc1SCC1=CC(N2C3CCCCC=3SC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7484 |
| logD: | 2.7484 |
| logSw: | -3.1636 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.555 |
| InChI Key: | FYEMHSUITUZNGH-UHFFFAOYSA-N |