3-(4-bromophenyl)-8-[(2,4-dimethylphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
3-(4-bromophenyl)-8-[(2,4-dimethylphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one
3-(4-bromophenyl)-8-[(2,4-dimethylphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Compound characteristics
| Compound ID: | G610-0338 |
| Compound Name: | 3-(4-bromophenyl)-8-[(2,4-dimethylphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one |
| Molecular Weight: | 426.36 |
| Molecular Formula: | C22 H24 Br N3 O |
| Smiles: | Cc1ccc(CN2CCC3(CC2)NC(C(c2ccc(cc2)[Br])=N3)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.5926 |
| logD: | 2.7361 |
| logSw: | -4.2582 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.322 |
| InChI Key: | XNMKOAFKDGFZFE-UHFFFAOYSA-N |