3-(4-bromophenyl)-8-(2,6-difluorobenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
3-(4-bromophenyl)-8-(2,6-difluorobenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
3-(4-bromophenyl)-8-(2,6-difluorobenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Compound characteristics
| Compound ID: | G651-0092 |
| Compound Name: | 3-(4-bromophenyl)-8-(2,6-difluorobenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one |
| Molecular Weight: | 448.27 |
| Molecular Formula: | C20 H16 Br F2 N3 O2 |
| Smiles: | C1CN(CCC12NC(C(c1ccc(cc1)[Br])=N2)=O)C(c1c(cccc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9884 |
| logD: | 2.9836 |
| logSw: | -3.3549 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.238 |
| InChI Key: | CTFDLEGQIBEOMU-UHFFFAOYSA-N |