8-(2,4-dimethylbenzene-1-sulfonyl)-2-(4-methylphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene
Chemical Structure Depiction of
8-(2,4-dimethylbenzene-1-sulfonyl)-2-(4-methylphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene
8-(2,4-dimethylbenzene-1-sulfonyl)-2-(4-methylphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene
Compound characteristics
| Compound ID: | G022-0186 |
| Compound Name: | 8-(2,4-dimethylbenzene-1-sulfonyl)-2-(4-methylphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene |
| Molecular Weight: | 441.61 |
| Molecular Formula: | C23 H27 N3 O2 S2 |
| Smiles: | Cc1ccc(cc1)C1C(=NC2(CCN(CC2)S(c2ccc(C)cc2C)(=O)=O)N=1)SC |
| Stereo: | ACHIRAL |
| logP: | 4.7639 |
| logD: | 4.7639 |
| logSw: | -4.3933 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 48.871 |
| InChI Key: | DBEMKCYEWGBOBE-UHFFFAOYSA-N |