N-[6-tert-butyl-4-(4-chlorophenyl)-1,3,3-tricyano-3,4,4a,5,6,7-hexahydronaphthalen-2-yl]-N'-(4-chlorophenyl)urea
Chemical Structure Depiction of
N-[6-tert-butyl-4-(4-chlorophenyl)-1,3,3-tricyano-3,4,4a,5,6,7-hexahydronaphthalen-2-yl]-N'-(4-chlorophenyl)urea
N-[6-tert-butyl-4-(4-chlorophenyl)-1,3,3-tricyano-3,4,4a,5,6,7-hexahydronaphthalen-2-yl]-N'-(4-chlorophenyl)urea
Compound characteristics
| Compound ID: | 8010-0133 |
| Compound Name: | N-[6-tert-butyl-4-(4-chlorophenyl)-1,3,3-tricyano-3,4,4a,5,6,7-hexahydronaphthalen-2-yl]-N'-(4-chlorophenyl)urea |
| Molecular Weight: | 544.48 |
| Molecular Formula: | C30 H27 Cl2 N5 O |
| Smiles: | CC(C)(C)C1CC=C2C(C1)C(c1ccc(cc1)[Cl])C(C#N)(C#N)C(=C2C#N)NC(Nc1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 8.1163 |
| logD: | 6.7122 |
| logSw: | -6.7328 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.75 |
| InChI Key: | NYZNEOZCCYZRFQ-UHFFFAOYSA-N |