N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-pyrrol-1-ylbenzamide
Formula:C22H19N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-pyrrol-1-ylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-pyrrol-1-ylbenzamide |
| MolecularFormula | C22H19N5O2 |
| Smiles | NC(Cn1c(cccc2)c2c(/C=N\NC(c(cccc2)c2-n2cccc2)=O)c1)=O |
| InChI | InChI=1S/C22H19N5O2/c23-21(28)15-27-14-16(17-7-1-3-9-19(17)27)13-24-25-22(29)18-8-2-4-10-20(18)26-11-5-6-12-26/h1-14H,15H2,(H2,23,28)(H,25,29) |
| InChIK | DXKJHPGSYTUXHV-UHFFFAOYSA-N |
| TotalMolweight | 385.426 |
| Molweight | 385.426 |
| MonoisotopicMass | 385.153875 |
| CLogP | 2.1406 |
| CLogS | -5.778 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 299.78 |
| Relative PSA | 0.26039 |
| PolarSurfaceArea | 94.41 |
| Druglikeness | 7.1032 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-pyrrol-1-ylbenzamide | 2 - N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-pyrrol-1-ylbenzamide
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