N-cycloheptyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-cycloheptyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-cycloheptyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
Compound ID: | C437-0155 |
Compound Name: | N-cycloheptyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
Molecular Weight: | 375.38 |
Molecular Formula: | C17 H21 N5 O5 |
Smiles: | C1CCCC(CC1)Nc1c(nn(c2ccc3c(c2)OCCO3)[n+]1[O-])[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 2.6293 |
logD: | 2.6293 |
logSw: | -2.9208 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 93.285 |
InChI Key: | KZJLTGKRHOFWIO-UHFFFAOYSA-N |