N-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
N-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Compound characteristics
| Compound ID: | E972-0653 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide |
| Molecular Weight: | 460.96 |
| Molecular Formula: | C22 H22 Cl F N4 O2 S |
| Smiles: | COc1ccc(cc1)C1C(=NC2(CCN(CC2)C(Nc2ccc(c(c2)[Cl])F)=O)N=1)SC |
| Stereo: | ACHIRAL |
| logP: | 4.0335 |
| logD: | 4.033 |
| logSw: | -4.5416 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.173 |
| InChI Key: | BUTLZOKZNIZBMR-UHFFFAOYSA-N |