N-[(3-chlorophenyl)methyl]-8-methoxy-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-8-methoxy-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
N-[(3-chlorophenyl)methyl]-8-methoxy-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Compound characteristics
| Compound ID: | C797-1062 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-8-methoxy-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide |
| Molecular Weight: | 399.85 |
| Molecular Formula: | C19 H14 Cl N3 O3 S |
| Smiles: | COc1ccc2c(c1)SC1=NC=C(C(NCc3cccc(c3)[Cl])=O)C(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9289 |
| logD: | 2.8967 |
| logSw: | -3.6001 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.978 |
| InChI Key: | TYBIOYOTCFRZQM-UHFFFAOYSA-N |