N-(2-cyanoethyl)-12-oxo-N-phenyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(2-cyanoethyl)-12-oxo-N-phenyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(2-cyanoethyl)-12-oxo-N-phenyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C849-0568 |
| Compound Name: | N-(2-cyanoethyl)-12-oxo-N-phenyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 386.45 |
| Molecular Formula: | C23 H22 N4 O2 |
| Smiles: | C1CCC2=Nc3cc(ccc3C(N2CC1)=O)C(N(CCC#N)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2218 |
| logD: | 2.2218 |
| logSw: | -3.0481 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.813 |
| InChI Key: | LZNCYLSZISSPMI-UHFFFAOYSA-N |