N-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-3-(propylsulfanyl)-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-(propylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
N-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-3-(propylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Compound characteristics
| Compound ID: | E972-0665 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-3-(propylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide |
| Molecular Weight: | 489.01 |
| Molecular Formula: | C24 H26 Cl F N4 O2 S |
| Smiles: | CCCSC1C(c2ccc(cc2)OC)=NC2(CCN(CC2)C(Nc2ccc(c(c2)[Cl])F)=O)N=1 |
| Stereo: | ACHIRAL |
| logP: | 4.7325 |
| logD: | 4.732 |
| logSw: | -4.9426 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.173 |
| InChI Key: | SMYSOOCBRCVSID-UHFFFAOYSA-N |