N-(2,4-dimethoxyphenyl)-2-({5-oxo-6-[3-oxo-3-(pyrrolidin-1-yl)propyl]-4-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2,4-dimethoxyphenyl)-2-({5-oxo-6-[3-oxo-3-(pyrrolidin-1-yl)propyl]-4-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-3-yl}sulfanyl)acetamide
N-(2,4-dimethoxyphenyl)-2-({5-oxo-6-[3-oxo-3-(pyrrolidin-1-yl)propyl]-4-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C795-2276 |
| Compound Name: | N-(2,4-dimethoxyphenyl)-2-({5-oxo-6-[3-oxo-3-(pyrrolidin-1-yl)propyl]-4-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 525.63 |
| Molecular Formula: | C26 H31 N5 O5 S |
| Smiles: | COc1ccc(c(c1)OC)NC(CSC1NN=C(CCC(N2CCCC2)=O)C(N1c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4254 |
| logD: | 2.4242 |
| logSw: | -2.972 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.725 |
| InChI Key: | ZFWNLJRQJKNPJW-SANMLTNESA-N |