N-benzyl-2-(ethylsulfanyl)-3-(4-methoxyphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Chemical Structure Depiction of
N-benzyl-2-(ethylsulfanyl)-3-(4-methoxyphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
N-benzyl-2-(ethylsulfanyl)-3-(4-methoxyphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Compound characteristics
| Compound ID: | E972-0563 |
| Compound Name: | N-benzyl-2-(ethylsulfanyl)-3-(4-methoxyphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide |
| Molecular Weight: | 436.58 |
| Molecular Formula: | C24 H28 N4 O2 S |
| Smiles: | CCSC1C(c2ccc(cc2)OC)=NC2(CCN(CC2)C(NCc2ccccc2)=O)N=1 |
| Stereo: | ACHIRAL |
| logP: | 3.3676 |
| logD: | 3.3676 |
| logSw: | -3.4656 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.495 |
| InChI Key: | XANILAIQWKKEJK-UHFFFAOYSA-N |