N-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
N-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Compound characteristics
| Compound ID: | G595-0275 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide |
| Molecular Weight: | 385.51 |
| Molecular Formula: | C19 H19 N3 O2 S2 |
| Smiles: | CSc1ccc(CNC(C2=CN=C3N(C4CCCCC=4S3)C2=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.6011 |
| logD: | 2.5567 |
| logSw: | -2.9255 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.037 |
| InChI Key: | LSRKPUMIXQBANT-UHFFFAOYSA-N |