2-(2H-1,3-benzodioxol-5-yl)-3-{[(2H-1,3-benzodioxol-5-yl)methylidene]amino}-7-nitro-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-3-{[(2H-1,3-benzodioxol-5-yl)methylidene]amino}-7-nitro-2,3-dihydroquinazolin-4(1H)-one
2-(2H-1,3-benzodioxol-5-yl)-3-{[(2H-1,3-benzodioxol-5-yl)methylidene]amino}-7-nitro-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
Compound ID: | 8011-6579 |
Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-3-{[(2H-1,3-benzodioxol-5-yl)methylidene]amino}-7-nitro-2,3-dihydroquinazolin-4(1H)-one |
Molecular Weight: | 460.4 |
Molecular Formula: | C23 H16 N4 O7 |
Smiles: | C1Oc2ccc(/C=N/N3C(c4ccc5c(c4)OCO5)Nc4cc(ccc4C3=O)[N+]([O-])=O)cc2O1 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.3084 |
logD: | 4.3084 |
logSw: | -4.4431 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 105.371 |
InChI Key: | MBMMYJJLVLQIFK-QFIPXVFZSA-N |