2-chloro-4-nitro-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)benzamide
Chemical Structure Depiction of
2-chloro-4-nitro-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)benzamide
2-chloro-4-nitro-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)benzamide
Compound characteristics
Compound ID: | C803-0293 |
Compound Name: | 2-chloro-4-nitro-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)benzamide |
Molecular Weight: | 412.83 |
Molecular Formula: | C20 H17 Cl N4 O4 |
Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(c1ccc(cc1[Cl])[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 3.4173 |
logD: | 3.4144 |
logSw: | -4.1463 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 83.192 |
InChI Key: | LLHMGEMWDHEWFO-UHFFFAOYSA-N |