N-(2,3-dimethylcyclohexyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(2,3-dimethylcyclohexyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(2,3-dimethylcyclohexyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C849-0381 |
| Compound Name: | N-(2,3-dimethylcyclohexyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 367.49 |
| Molecular Formula: | C22 H29 N3 O2 |
| Smiles: | CC1CCCC(C1C)NC(c1ccc2C(N3CCCCCC3=Nc2c1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8729 |
| logD: | 2.8729 |
| logSw: | -3.6371 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.249 |
| InChI Key: | ZVDXQIJMWVFGCD-UHFFFAOYSA-N |