N-(6-methoxy-1,3-benzothiazol-2-yl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(6-methoxy-1,3-benzothiazol-2-yl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(6-methoxy-1,3-benzothiazol-2-yl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C066-3419 |
| Compound Name: | N-(6-methoxy-1,3-benzothiazol-2-yl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C22 H20 N4 O3 S |
| Smiles: | COc1ccc2c(c1)sc(NC(c1ccc3C(N4CCCCCC4=Nc3c1)=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.7078 |
| logD: | 3.7063 |
| logSw: | -3.9661 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.116 |
| InChI Key: | ICBSRFXLEKQOCV-UHFFFAOYSA-N |