4-(4-oxo-2-phenyl-1,5-diazecane-1-carbonyl)benzonitrile
Chemical Structure Depiction of
4-(4-oxo-2-phenyl-1,5-diazecane-1-carbonyl)benzonitrile
4-(4-oxo-2-phenyl-1,5-diazecane-1-carbonyl)benzonitrile
Compound characteristics
| Compound ID: | S734-0025 |
| Compound Name: | 4-(4-oxo-2-phenyl-1,5-diazecane-1-carbonyl)benzonitrile |
| Molecular Weight: | 361.44 |
| Molecular Formula: | C22 H23 N3 O2 |
| Smiles: | C1CCNC(CC(c2ccccc2)N(CC1)C(c1ccc(C#N)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3853 |
| logD: | 2.3853 |
| logSw: | -2.7657 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.72 |
| InChI Key: | XXXZWIWWQAJSBQ-FQEVSTJZSA-N |