N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]naphthalene-2-carboxamide
Formula:C22H18N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]naphthalene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]naphthalene-2-carboxamide |
| MolecularFormula | C22H18N4O2 |
| Smiles | NC(Cn1c(cccc2)c2c(/C=N\NC(c2cc3ccccc3cc2)=O)c1)=O |
| InChI | InChI=1S/C22H18N4O2/c23-21(27)14-26-13-18(19-7-3-4-8-20(19)26)12-24-25-22(28)17-10-9-15-5-1-2-6-16(15)11-17/h1-13H,14H2,(H2,23,27)(H,25,28) |
| InChIK | KGESEURXRCTVCH-UHFFFAOYSA-N |
| TotalMolweight | 370.411 |
| Molweight | 370.411 |
| MonoisotopicMass | 370.142976 |
| CLogP | 3.1501 |
| CLogS | -5.071 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 285.42 |
| Relative PSA | 0.24942 |
| PolarSurfaceArea | 89.48 |
| Druglikeness | 7.0658 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]naphthalene-2-carboxamide | 2 - N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]naphthalene-2-carboxamide
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