N-benzyl-4-cyano-N-(3-{2-oxo-2-[(propan-2-yl)amino]ethyl}phenyl)benzamide
Chemical Structure Depiction of
N-benzyl-4-cyano-N-(3-{2-oxo-2-[(propan-2-yl)amino]ethyl}phenyl)benzamide
N-benzyl-4-cyano-N-(3-{2-oxo-2-[(propan-2-yl)amino]ethyl}phenyl)benzamide
Compound characteristics
| Compound ID: | V012-3217 |
| Compound Name: | N-benzyl-4-cyano-N-(3-{2-oxo-2-[(propan-2-yl)amino]ethyl}phenyl)benzamide |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C26 H25 N3 O2 |
| Smiles: | CC(C)NC(Cc1cccc(c1)N(Cc1ccccc1)C(c1ccc(C#N)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9489 |
| logD: | 3.9489 |
| logSw: | -4.1579 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.091 |
| InChI Key: | KBTSECZZZJNKIQ-UHFFFAOYSA-N |