8-(2,5-dimethylbenzene-1-sulfonyl)-2-(methylsulfanyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene
Chemical Structure Depiction of
8-(2,5-dimethylbenzene-1-sulfonyl)-2-(methylsulfanyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene
8-(2,5-dimethylbenzene-1-sulfonyl)-2-(methylsulfanyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene
Compound characteristics
| Compound ID: | G022-0300 |
| Compound Name: | 8-(2,5-dimethylbenzene-1-sulfonyl)-2-(methylsulfanyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene |
| Molecular Weight: | 427.59 |
| Molecular Formula: | C22 H25 N3 O2 S2 |
| Smiles: | Cc1ccc(C)c(c1)S(N1CCC2(CC1)N=C(C(=N2)SC)c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1527 |
| logD: | 4.1527 |
| logSw: | -4.1382 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 48.871 |
| InChI Key: | WTHHNNLDOWKAKX-UHFFFAOYSA-N |