5-ethyl-N-(3-fluoro-4-methylphenyl)-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
					Chemical Structure Depiction of
5-ethyl-N-(3-fluoro-4-methylphenyl)-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
			5-ethyl-N-(3-fluoro-4-methylphenyl)-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | S413-0099 | 
| Compound Name: | 5-ethyl-N-(3-fluoro-4-methylphenyl)-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide | 
| Molecular Weight: | 395.48 | 
| Molecular Formula: | C23 H26 F N3 O2 | 
| Smiles: | CCN1C2CCCCCN2C(c2ccc(cc12)C(Nc1ccc(C)c(c1)F)=O)=O | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 4.5218 | 
| logD: | 4.5215 | 
| logSw: | -4.2487 | 
| Hydrogen bond acceptors count: | 4 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 41.669 | 
| InChI Key: | XPCPYEWLAXNZQM-NRFANRHFSA-N | 
 
				 
				