5-chloro-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide
Formula:C24H21N4O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
5-chloro-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide is a drug-like molecule.
| MolName | 5-chloro-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide |
| MolecularFormula | C24H21N4O4Cl |
| Smiles | O=C(Cn1c(cccc2)c2c(/C=N\NC(c2cc(cc(cc3)Cl)c3o2)=O)c1)N1CCOCC1 |
| InChI | InChI=1S/C24H21ClN4O4/c25-18-5-6-21-16(11-18)12-22(33-21)24(31)27-26-13-17-14-29(20-4-2-1-3-19(17)20)15-23(30)28-7-9-32-10-8-28/h1-6,11-14H,7-10,15H2,(H,27,31) |
| InChIK | JLNNOUYNICGWJF-UHFFFAOYSA-N |
| TotalMolweight | 464.908 |
| Molweight | 464.908 |
| MonoisotopicMass | 464.125133 |
| CLogP | 3.6543 |
| CLogS | -5.005 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 343.85 |
| Relative PSA | 0.24307 |
| PolarSurfaceArea | 89.07 |
| Druglikeness | 6.5458 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 5-chloro-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide | 2 - 5-chloro-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide
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