3-phenyl-8-(3,4,5-triethoxybenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
3-phenyl-8-(3,4,5-triethoxybenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
3-phenyl-8-(3,4,5-triethoxybenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Compound characteristics
| Compound ID: | E697-0096 |
| Compound Name: | 3-phenyl-8-(3,4,5-triethoxybenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one |
| Molecular Weight: | 465.55 |
| Molecular Formula: | C26 H31 N3 O5 |
| Smiles: | CCOc1cc(cc(c1OCC)OCC)C(N1CCC2(CC1)NC(C(c1ccccc1)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4778 |
| logD: | 2.473 |
| logSw: | -3.1643 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.955 |
| InChI Key: | XRUBXGKPRWIYDP-UHFFFAOYSA-N |