2-(benzylsulfanyl)-N-(2,4-dimethoxyphenyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Chemical Structure Depiction of
2-(benzylsulfanyl)-N-(2,4-dimethoxyphenyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
2-(benzylsulfanyl)-N-(2,4-dimethoxyphenyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Compound characteristics
| Compound ID: | E972-0163 |
| Compound Name: | 2-(benzylsulfanyl)-N-(2,4-dimethoxyphenyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide |
| Molecular Weight: | 514.65 |
| Molecular Formula: | C29 H30 N4 O3 S |
| Smiles: | COc1ccc(c(c1)OC)NC(N1CCC2(CC1)N=C(C(=N2)SCc1ccccc1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5573 |
| logD: | 4.5572 |
| logSw: | -4.3655 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.834 |
| InChI Key: | ZHCRMNFXXDLLOD-UHFFFAOYSA-N |