8-(benzenesulfonyl)-3-(3,4-dimethylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-3-(3,4-dimethylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
8-(benzenesulfonyl)-3-(3,4-dimethylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Compound characteristics
| Compound ID: | G651-0991 |
| Compound Name: | 8-(benzenesulfonyl)-3-(3,4-dimethylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Smiles: | Cc1ccc(cc1C)C1C(NC2(CCN(CC2)S(c2ccccc2)(=O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3939 |
| logD: | 3.3929 |
| logSw: | -3.8788 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.3 |
| InChI Key: | OHROMDHMJYLHCG-UHFFFAOYSA-N |