N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
Chemical Structure Depiction of
N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
Compound characteristics
| Compound ID: | C909-0025 |
| Compound Name: | N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide |
| Molecular Weight: | 434.45 |
| Molecular Formula: | C23 H22 N4 O5 |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(C(Nc1ccc2c(c1)OCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3268 |
| logD: | 1.2689 |
| logSw: | -2.3616 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.997 |
| InChI Key: | LACINVOYKJSSDO-UHFFFAOYSA-N |