8-(2,5-dimethylbenzene-1-sulfonyl)-2-(4-methoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene
Chemical Structure Depiction of
8-(2,5-dimethylbenzene-1-sulfonyl)-2-(4-methoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene
8-(2,5-dimethylbenzene-1-sulfonyl)-2-(4-methoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene
Compound characteristics
| Compound ID: | G022-0303 |
| Compound Name: | 8-(2,5-dimethylbenzene-1-sulfonyl)-2-(4-methoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene |
| Molecular Weight: | 457.61 |
| Molecular Formula: | C23 H27 N3 O3 S2 |
| Smiles: | Cc1ccc(C)c(c1)S(N1CCC2(CC1)N=C(C(=N2)SC)c1ccc(cc1)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2402 |
| logD: | 4.2402 |
| logSw: | -4.2222 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 56.415 |
| InChI Key: | IROSQUMPGMYHPF-UHFFFAOYSA-N |