8-methoxy-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Chemical Structure Depiction of
8-methoxy-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
8-methoxy-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Compound characteristics
| Compound ID: | C797-1059 |
| Compound Name: | 8-methoxy-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C21 H19 N3 O3 S2 |
| Smiles: | COc1ccc2c(c1)SC1=NC=C(C(NCCc3ccc(cc3)SC)=O)C(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8844 |
| logD: | 2.883 |
| logSw: | -3.5741 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.82 |
| InChI Key: | ZJDDRULOBGHRML-UHFFFAOYSA-N |