N-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-pyrrol-1-ylbenzamide
Formula:C20H18N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-pyrrol-1-ylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-pyrrol-1-ylbenzamide |
| MolecularFormula | C20H18N4O3 |
| Smiles | NC(COc1cccc(/C=N\NC(c(cc2)ccc2-n2cccc2)=O)c1)=O |
| InChI | InChI=1S/C20H18N4O3/c21-19(25)14-27-18-5-3-4-15(12-18)13-22-23-20(26)16-6-8-17(9-7-16)24-10-1-2-11-24/h1-13H,14H2,(H2,21,25)(H,23,26) |
| InChIK | POHFOKYIFJGGSS-UHFFFAOYSA-N |
| TotalMolweight | 362.388 |
| Molweight | 362.388 |
| MonoisotopicMass | 362.137891 |
| CLogP | 2.0487 |
| CLogS | -5.903 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 285.98 |
| Relative PSA | 0.2839 |
| PolarSurfaceArea | 98.71 |
| Druglikeness | 5.23 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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