2-chloro-N-{[2-(dimethylamino)-5-(3,3-dimethylbutanamido)phenyl]methyl}-N-[(oxolan-2-yl)methyl]benzamide
Chemical Structure Depiction of
2-chloro-N-{[2-(dimethylamino)-5-(3,3-dimethylbutanamido)phenyl]methyl}-N-[(oxolan-2-yl)methyl]benzamide
2-chloro-N-{[2-(dimethylamino)-5-(3,3-dimethylbutanamido)phenyl]methyl}-N-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V001-0898 |
| Compound Name: | 2-chloro-N-{[2-(dimethylamino)-5-(3,3-dimethylbutanamido)phenyl]methyl}-N-[(oxolan-2-yl)methyl]benzamide |
| Molecular Weight: | 486.05 |
| Molecular Formula: | C27 H36 Cl N3 O3 |
| Salt: | not_available |
| Smiles: | CC(C)(C)CC(Nc1ccc(c(CN(CC2CCCO2)C(c2ccccc2[Cl])=O)c1)N(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7996 |
| logD: | 4.7867 |
| logSw: | -4.8205 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.485 |
| InChI Key: | DDQYFVLCBSMANJ-OAQYLSRUSA-N |