N-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)-N'-(2-methylphenyl)urea
Chemical Structure Depiction of
N-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)-N'-(2-methylphenyl)urea
N-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)-N'-(2-methylphenyl)urea
Compound characteristics
| Compound ID: | D469-0041 |
| Compound Name: | N-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)-N'-(2-methylphenyl)urea |
| Molecular Weight: | 331.42 |
| Molecular Formula: | C21 H21 N3 O |
| Smiles: | Cc1ccccc1NC(NC1=C(C#N)C(C)(C)Cc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.486 |
| logD: | 4.2376 |
| logSw: | -4.3751 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.019 |
| InChI Key: | LTYYSKZAMDAVHM-UHFFFAOYSA-N |