N~1~-(4-bromo-2-methylphenyl)-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
Chemical Structure Depiction of
N~1~-(4-bromo-2-methylphenyl)-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
N~1~-(4-bromo-2-methylphenyl)-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
Compound characteristics
| Compound ID: | C660-0326 |
| Compound Name: | N~1~-(4-bromo-2-methylphenyl)-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide |
| Molecular Weight: | 469.34 |
| Molecular Formula: | C22 H21 Br N4 O3 |
| Smiles: | Cc1cc(ccc1NC(C(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.3706 |
| logD: | 3.1232 |
| logSw: | -3.6855 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.476 |
| InChI Key: | SUVVXPBXWGVRRY-UHFFFAOYSA-N |