3-(4-bromophenyl)-8-[(2,5-dimethylphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
3-(4-bromophenyl)-8-[(2,5-dimethylphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one
3-(4-bromophenyl)-8-[(2,5-dimethylphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Compound characteristics
| Compound ID: | G610-0429 |
| Compound Name: | 3-(4-bromophenyl)-8-[(2,5-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(C)c(CN2CCC3(CC2)NC(C(c2ccc(cc2)[Br])=N3)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.7314 |
| logD: | 3.1 |
| logSw: | -4.3384 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.322 |
| InChI Key: | FXYRWMIUVKFDTC-UHFFFAOYSA-N |