N-(2-methyl-3-nitrophenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(2-methyl-3-nitrophenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(2-methyl-3-nitrophenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C849-0522 |
| Compound Name: | N-(2-methyl-3-nitrophenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 392.41 |
| Molecular Formula: | C21 H20 N4 O4 |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)NC(c1ccc2C(N3CCCCCC3=Nc2c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9176 |
| logD: | 2.8359 |
| logSw: | -3.6091 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.194 |
| InChI Key: | QOBHQOBRSFVQAX-UHFFFAOYSA-N |