N-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)-N'-(3-methylphenyl)urea
Chemical Structure Depiction of
N-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)-N'-(3-methylphenyl)urea
N-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)-N'-(3-methylphenyl)urea
Compound characteristics
| Compound ID: | D469-0043 |
| Compound Name: | N-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)-N'-(3-methylphenyl)urea |
| Molecular Weight: | 331.42 |
| Molecular Formula: | C21 H21 N3 O |
| Smiles: | Cc1cccc(c1)NC(NC1=C(C#N)C(C)(C)Cc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0502 |
| logD: | 5.0321 |
| logSw: | -4.6659 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.717 |
| InChI Key: | XUOUZVXQWHBONQ-UHFFFAOYSA-N |