2-[4-(2H-1,3-benzodioxol-5-yl)-9-methyl-1,5,9-triazaspiro[5.5]undec-4-en-2-yl]-4-bromophenol
Chemical Structure Depiction of
2-[4-(2H-1,3-benzodioxol-5-yl)-9-methyl-1,5,9-triazaspiro[5.5]undec-4-en-2-yl]-4-bromophenol
2-[4-(2H-1,3-benzodioxol-5-yl)-9-methyl-1,5,9-triazaspiro[5.5]undec-4-en-2-yl]-4-bromophenol
Compound characteristics
| Compound ID: | Z274-0266 |
| Compound Name: | 2-[4-(2H-1,3-benzodioxol-5-yl)-9-methyl-1,5,9-triazaspiro[5.5]undec-4-en-2-yl]-4-bromophenol |
| Molecular Weight: | 458.35 |
| Molecular Formula: | C22 H24 Br N3 O3 |
| Smiles: | CN1CCC2(CC1)NC(CC(c1ccc3c(c1)OCO3)=N2)c1cc(ccc1O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6715 |
| logD: | 1.4628 |
| logSw: | -3.5614 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.119 |
| InChI Key: | UWNIVYIXUXFUIV-SFHVURJKSA-N |