N-methyl-N-(2-methylphenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-methyl-N-(2-methylphenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-methyl-N-(2-methylphenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C849-0468 |
| Compound Name: | N-methyl-N-(2-methylphenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 361.44 |
| Molecular Formula: | C22 H23 N3 O2 |
| Smiles: | Cc1ccccc1N(C)C(c1ccc2C(N3CCCCCC3=Nc2c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.939 |
| logD: | 2.939 |
| logSw: | -3.315 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.788 |
| InChI Key: | OHMJRDFVLSUXJA-UHFFFAOYSA-N |