1-[2-(3,4-dimethylphenyl)-4-(2-hydroxy-3-methoxyphenyl)-1,5,9-triazaspiro[5.5]undec-1-en-9-yl]ethan-1-one
Chemical Structure Depiction of
1-[2-(3,4-dimethylphenyl)-4-(2-hydroxy-3-methoxyphenyl)-1,5,9-triazaspiro[5.5]undec-1-en-9-yl]ethan-1-one
1-[2-(3,4-dimethylphenyl)-4-(2-hydroxy-3-methoxyphenyl)-1,5,9-triazaspiro[5.5]undec-1-en-9-yl]ethan-1-one
Compound characteristics
| Compound ID: | Z274-0412 |
| Compound Name: | 1-[2-(3,4-dimethylphenyl)-4-(2-hydroxy-3-methoxyphenyl)-1,5,9-triazaspiro[5.5]undec-1-en-9-yl]ethan-1-one |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C25 H31 N3 O3 |
| Smiles: | CC(N1CCC2(CC1)NC(CC(c1ccc(C)c(C)c1)=N2)c1cccc(c1O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8164 |
| logD: | 3.0723 |
| logSw: | -3.8515 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.284 |
| InChI Key: | XGFHQYVSMUMPRR-JOCHJYFZSA-N |