N~2~,N~2~-dimethyl-6-({[4-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl}methyl)-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
N~2~,N~2~-dimethyl-6-({[4-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl}methyl)-1,3,5-triazine-2,4-diamine
N~2~,N~2~-dimethyl-6-({[4-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl}methyl)-1,3,5-triazine-2,4-diamine
Compound characteristics
Compound ID: | 8016-8742 |
Compound Name: | N~2~,N~2~-dimethyl-6-({[4-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl}methyl)-1,3,5-triazine-2,4-diamine |
Molecular Weight: | 372.41 |
Molecular Formula: | C15 H16 N8 O2 S |
Smiles: | CN(C)c1nc(CSc2nc(c[nH]2)c2ccc(cc2)[N+]([O-])=O)nc(N)n1 |
Stereo: | ACHIRAL |
logP: | 2.8683 |
logD: | 2.8498 |
logSw: | -3.4691 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 104.965 |
InChI Key: | NUPNJQYRJBUWCT-UHFFFAOYSA-N |