2-(4-methoxyphenyl)-3-(methylsulfanyl)-8-(phenylmethanesulfonyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene
Chemical Structure Depiction of
2-(4-methoxyphenyl)-3-(methylsulfanyl)-8-(phenylmethanesulfonyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene
2-(4-methoxyphenyl)-3-(methylsulfanyl)-8-(phenylmethanesulfonyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene
Compound characteristics
| Compound ID: | G022-0073 |
| Compound Name: | 2-(4-methoxyphenyl)-3-(methylsulfanyl)-8-(phenylmethanesulfonyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene |
| Molecular Weight: | 443.59 |
| Molecular Formula: | C22 H25 N3 O3 S2 |
| Smiles: | COc1ccc(cc1)C1C(=NC2(CCN(CC2)S(Cc2ccccc2)(=O)=O)N=1)SC |
| Stereo: | ACHIRAL |
| logP: | 3.0795 |
| logD: | 3.0795 |
| logSw: | -3.3449 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 56.309 |
| InChI Key: | CKIUNMJNFUHDES-UHFFFAOYSA-N |