N-(4-{[5-(3-nitrophenyl)-1,3,5-triazinan-2-ylidene]sulfamoyl}phenyl)acetamide
Chemical Structure Depiction of
N-(4-{[5-(3-nitrophenyl)-1,3,5-triazinan-2-ylidene]sulfamoyl}phenyl)acetamide
N-(4-{[5-(3-nitrophenyl)-1,3,5-triazinan-2-ylidene]sulfamoyl}phenyl)acetamide
Compound characteristics
Compound ID: | 2812-0065 |
Compound Name: | N-(4-{[5-(3-nitrophenyl)-1,3,5-triazinan-2-ylidene]sulfamoyl}phenyl)acetamide |
Molecular Weight: | 418.43 |
Molecular Formula: | C17 H18 N6 O5 S |
Smiles: | CC(Nc1ccc(cc1)S(N=C1NCN(CN1)c1cccc(c1)[N+]([O-])=O)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.3482 |
logD: | 1.348 |
logSw: | -2.5671 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 120.09 |
InChI Key: | MFYMWRVSAZEVBW-UHFFFAOYSA-N |