3-(3,4-dimethylphenyl)-8-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
3-(3,4-dimethylphenyl)-8-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one
3-(3,4-dimethylphenyl)-8-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Compound characteristics
| Compound ID: | G651-1016 |
| Compound Name: | 3-(3,4-dimethylphenyl)-8-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one |
| Molecular Weight: | 465.49 |
| Molecular Formula: | C22 H22 F3 N3 O3 S |
| Smiles: | Cc1ccc(cc1C)C1C(NC2(CCN(CC2)S(c2cccc(c2)C(F)(F)F)(=O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4021 |
| logD: | 4.4011 |
| logSw: | -4.2114 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.3 |
| InChI Key: | YWDCFSHXRWVOBW-UHFFFAOYSA-N |