8-methoxy-4-oxo-N-(3-phenylpropyl)-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Chemical Structure Depiction of
8-methoxy-4-oxo-N-(3-phenylpropyl)-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
8-methoxy-4-oxo-N-(3-phenylpropyl)-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Compound characteristics
| Compound ID: | C797-1061 |
| Compound Name: | 8-methoxy-4-oxo-N-(3-phenylpropyl)-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide |
| Molecular Weight: | 393.46 |
| Molecular Formula: | C21 H19 N3 O3 S |
| Smiles: | COc1ccc2c(c1)SC1=NC=C(C(NCCCc3ccccc3)=O)C(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1416 |
| logD: | 3.141 |
| logSw: | -3.5937 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.82 |
| InChI Key: | ZJJIPKQKQCHHKC-UHFFFAOYSA-N |