8-(2,5-dimethoxybenzene-1-sulfonyl)-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
8-(2,5-dimethoxybenzene-1-sulfonyl)-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
8-(2,5-dimethoxybenzene-1-sulfonyl)-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Compound characteristics
| Compound ID: | G651-0586 |
| Compound Name: | 8-(2,5-dimethoxybenzene-1-sulfonyl)-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C22 H25 N3 O5 S |
| Smiles: | Cc1cccc(c1)C1C(NC2(CCN(CC2)S(c2cc(ccc2OC)OC)(=O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7848 |
| logD: | 2.7839 |
| logSw: | -3.4631 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.475 |
| InChI Key: | RBFYVZDVBCBKBI-UHFFFAOYSA-N |