2-[(1,3-diethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-1-hydroxy-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Chemical Structure Depiction of
2-[(1,3-diethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-1-hydroxy-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
2-[(1,3-diethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-1-hydroxy-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Compound characteristics
| Compound ID: | 3697-0077 |
| Compound Name: | 2-[(1,3-diethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-1-hydroxy-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile |
| Molecular Weight: | 405.48 |
| Molecular Formula: | C21 H19 N5 O2 S |
| Smiles: | CCN1C(=C/c2c(C)c(C#N)c3nc4ccccc4n3c2O)\C(N(CC)C1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.139 |
| logD: | -0.4369 |
| logSw: | -3.1337 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.169 |
| InChI Key: | HDLLWNXYKPLNRK-YVLHZVERSA-N |