2-(4-chlorophenyl)-8-(4-methylbenzene-1-sulfonyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene
Chemical Structure Depiction of
2-(4-chlorophenyl)-8-(4-methylbenzene-1-sulfonyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene
2-(4-chlorophenyl)-8-(4-methylbenzene-1-sulfonyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene
Compound characteristics
| Compound ID: | G022-0120 |
| Compound Name: | 2-(4-chlorophenyl)-8-(4-methylbenzene-1-sulfonyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene |
| Molecular Weight: | 448 |
| Molecular Formula: | C21 H22 Cl N3 O2 S2 |
| Smiles: | Cc1ccc(cc1)S(N1CCC2(CC1)N=C(C(=N2)SC)c1ccc(cc1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5158 |
| logD: | 4.5158 |
| logSw: | -4.6814 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 48.871 |
| InChI Key: | UAFQBIJFWLUVRP-UHFFFAOYSA-N |