8-(2,5-dimethylbenzene-1-sulfonyl)-3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
8-(2,5-dimethylbenzene-1-sulfonyl)-3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
8-(2,5-dimethylbenzene-1-sulfonyl)-3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Compound characteristics
| Compound ID: | G651-0528 |
| Compound Name: | 8-(2,5-dimethylbenzene-1-sulfonyl)-3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C22 H25 N3 O3 S |
| Smiles: | Cc1ccc(cc1)C1C(NC2(CCN(CC2)S(c2cc(C)ccc2C)(=O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6295 |
| logD: | 3.6248 |
| logSw: | -3.7982 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.3 |
| InChI Key: | CZBKWVAGWIANRI-UHFFFAOYSA-N |