5,7-dimethyl-4a,7a-diphenyl-3-sulfanylideneoctahydro-6H-imidazo[4,5-e][1,2,4]triazin-6-one
Chemical Structure Depiction of
5,7-dimethyl-4a,7a-diphenyl-3-sulfanylideneoctahydro-6H-imidazo[4,5-e][1,2,4]triazin-6-one
5,7-dimethyl-4a,7a-diphenyl-3-sulfanylideneoctahydro-6H-imidazo[4,5-e][1,2,4]triazin-6-one
Compound characteristics
| Compound ID: | 8010-3946 |
| Compound Name: | 5,7-dimethyl-4a,7a-diphenyl-3-sulfanylideneoctahydro-6H-imidazo[4,5-e][1,2,4]triazin-6-one |
| Molecular Weight: | 353.44 |
| Molecular Formula: | C18 H19 N5 O S |
| Smiles: | CN1C(N(C)C2(c3ccccc3)C1(c1ccccc1)NC(NN2)=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8651 |
| logD: | 2.8651 |
| logSw: | -3.4378 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 58.102 |
| InChI Key: | DLIFSPJMDLQXEX-UHFFFAOYSA-N |