3-chloro-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide
Formula:C22H21N4O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-chloro-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide |
| MolecularFormula | C22H21N4O3Cl |
| Smiles | O=C(Cn1c(cccc2)c2c(/C=N\NC(c2cccc(Cl)c2)=O)c1)N1CCOCC1 |
| InChI | InChI=1S/C22H21ClN4O3/c23-18-5-3-4-16(12-18)22(29)25-24-13-17-14-27(20-7-2-1-6-19(17)20)15-21(28)26-8-10-30-11-9-26/h1-7,12-14H,8-11,15H2,(H,25,29) |
| InChIK | NUNSCXMKJDITDW-UHFFFAOYSA-N |
| TotalMolweight | 424.887 |
| Molweight | 424.887 |
| MonoisotopicMass | 424.130218 |
| CLogP | 3.1487 |
| CLogS | -3.822 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 319.56 |
| Relative PSA | 0.21739 |
| PolarSurfaceArea | 75.93 |
| Druglikeness | 6.2757 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 3-chloro-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide | 2 - 3-chloro-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide
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