6-[({4-ethyl-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N~2~,N~2~-dimethyl-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
6-[({4-ethyl-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N~2~,N~2~-dimethyl-1,3,5-triazine-2,4-diamine
6-[({4-ethyl-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N~2~,N~2~-dimethyl-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | 8016-9286 |
| Compound Name: | 6-[({4-ethyl-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N~2~,N~2~-dimethyl-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 438.52 |
| Molecular Formula: | C18 H22 N12 S |
| Smiles: | CCn1c(Cn2nc(c3ccccc3)nn2)nnc1SCc1nc(N)nc(n1)N(C)C |
| Stereo: | ACHIRAL |
| logP: | 1.9067 |
| logD: | 1.8599 |
| logSw: | -2.1518 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.371 |
| InChI Key: | BXXOEQGOKQSEJI-UHFFFAOYSA-N |