N~1~-ethyl-N~1~-(3-methylphenyl)-N~3~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)propanediamide
Chemical Structure Depiction of
N~1~-ethyl-N~1~-(3-methylphenyl)-N~3~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)propanediamide
N~1~-ethyl-N~1~-(3-methylphenyl)-N~3~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)propanediamide
Compound characteristics
| Compound ID: | C865-0105 |
| Compound Name: | N~1~-ethyl-N~1~-(3-methylphenyl)-N~3~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)propanediamide |
| Molecular Weight: | 432.52 |
| Molecular Formula: | C25 H28 N4 O3 |
| Smiles: | CCN(C(CC(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.476 |
| logD: | 3.4757 |
| logSw: | -3.705 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.689 |
| InChI Key: | AYKCXZMSRAYVAD-UHFFFAOYSA-N |