8-(4-methylbenzene-1-sulfonyl)-2-(methylsulfanyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene
Chemical Structure Depiction of
8-(4-methylbenzene-1-sulfonyl)-2-(methylsulfanyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene
8-(4-methylbenzene-1-sulfonyl)-2-(methylsulfanyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene
Compound characteristics
| Compound ID: | G022-0116 |
| Compound Name: | 8-(4-methylbenzene-1-sulfonyl)-2-(methylsulfanyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene |
| Molecular Weight: | 413.56 |
| Molecular Formula: | C21 H23 N3 O2 S2 |
| Smiles: | Cc1ccc(cc1)S(N1CCC2(CC1)N=C(C(=N2)SC)c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.816 |
| logD: | 3.816 |
| logSw: | -3.8642 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 48.871 |
| InChI Key: | LEHXYXZESNBFQF-UHFFFAOYSA-N |