N-(3-fluoro-4-methoxyphenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(3-fluoro-4-methoxyphenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(3-fluoro-4-methoxyphenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | S413-0519 |
| Compound Name: | N-(3-fluoro-4-methoxyphenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C22 H24 F N3 O3 |
| Smiles: | CN1C2CCCCCN2C(c2ccc(cc12)C(Nc1ccc(c(c1)F)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3413 |
| logD: | 3.3409 |
| logSw: | -3.719 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.341 |
| InChI Key: | OZNNVTPBXLUUIP-FQEVSTJZSA-N |