N-(4-bromophenyl)-N'-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)urea
Chemical Structure Depiction of
N-(4-bromophenyl)-N'-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)urea
N-(4-bromophenyl)-N'-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)urea
Compound characteristics
Compound ID: | D469-0053 |
Compound Name: | N-(4-bromophenyl)-N'-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)urea |
Molecular Weight: | 396.28 |
Molecular Formula: | C20 H18 Br N3 O |
Smiles: | CC1(C)Cc2ccccc2C(=C1C#N)NC(Nc1ccc(cc1)[Br])=O |
Stereo: | ACHIRAL |
logP: | 5.5241 |
logD: | 5.4365 |
logSw: | -5.5113 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 49.717 |
InChI Key: | KOMFCUIUZYCALX-UHFFFAOYSA-N |