N-(3-cyanophenyl)-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-cyanophenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(3-cyanophenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | S413-0038 |
| Compound Name: | N-(3-cyanophenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 374.44 |
| Molecular Formula: | C22 H22 N4 O2 |
| Smiles: | CN1C2CCCCCN2C(c2ccc(cc12)C(Nc1cccc(C#N)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1115 |
| logD: | 3.1113 |
| logSw: | -3.5654 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.767 |
| InChI Key: | LCMYGPDNUNYQGC-FQEVSTJZSA-N |