5-ethyl-N-[4-(methylsulfanyl)phenyl]-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
5-ethyl-N-[4-(methylsulfanyl)phenyl]-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
5-ethyl-N-[4-(methylsulfanyl)phenyl]-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | S413-0527 |
| Compound Name: | 5-ethyl-N-[4-(methylsulfanyl)phenyl]-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 409.55 |
| Molecular Formula: | C23 H27 N3 O2 S |
| Smiles: | CCN1C2CCCCCN2C(c2ccc(cc12)C(Nc1ccc(cc1)SC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5913 |
| logD: | 4.5913 |
| logSw: | -4.2546 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.669 |
| InChI Key: | TVDXMTNWHHWPQV-NRFANRHFSA-N |