3-(4-bromophenyl)-8-(3,4-dimethylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
3-(4-bromophenyl)-8-(3,4-dimethylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
3-(4-bromophenyl)-8-(3,4-dimethylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Compound characteristics
| Compound ID: | G651-0101 |
| Compound Name: | 3-(4-bromophenyl)-8-(3,4-dimethylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one |
| Molecular Weight: | 440.34 |
| Molecular Formula: | C22 H22 Br N3 O2 |
| Smiles: | Cc1ccc(cc1C)C(N1CCC2(CC1)NC(C(c1ccc(cc1)[Br])=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6447 |
| logD: | 3.6399 |
| logSw: | -3.8411 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.238 |
| InChI Key: | COCPOXOTBMYMGJ-UHFFFAOYSA-N |