N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide
Formula:C31H23N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide |
| MolecularFormula | C31H23N3O3 |
| Smiles | O=C(c(cc1)ccc1-n1c(-c2ccccc2)ccc1-c1ccccc1)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C31H23N3O3/c35-31(33-32-20-22-11-18-29-30(19-22)37-21-36-29)25-12-14-26(15-13-25)34-27(23-7-3-1-4-8-23)16-17-28(34)24-9-5-2-6-10-24/h1-20H,21H2,(H,33,35) |
| InChIK | RZWKLXCBJMBKOF-UHFFFAOYSA-N |
| TotalMolweight | 485.542 |
| Molweight | 485.542 |
| MonoisotopicMass | 485.173942 |
| CLogP | 6.9983 |
| CLogS | -10.301 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 375.73 |
| Relative PSA | 0.16735 |
| PolarSurfaceArea | 64.85 |
| Druglikeness | 5.3124 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51351 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 3 |
| Symmetricatoms | 12 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide
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