N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]-3-(trifluoromethyl)benzamide
Formula:C23H21N4O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]-3-(trifluoromethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C23H21N4O3F3 |
| Smiles | O=C(Cn1c(cccc2)c2c(/C=N\NC(c2cccc(C(F)(F)F)c2)=O)c1)N1CCOCC1 |
| InChI | InChI=1S/C23H21F3N4O3/c24-23(25,26)18-5-3-4-16(12-18)22(32)28-27-13-17-14-30(20-7-2-1-6-19(17)20)15-21(31)29-8-10-33-11-9-29/h1-7,12-14H,8-11,15H2,(H,28,32) |
| InChIK | XSLNNZQAVLZHBR-UHFFFAOYSA-N |
| TotalMolweight | 458.439 |
| Molweight | 458.439 |
| MonoisotopicMass | 458.156575 |
| CLogP | 3.391 |
| CLogS | -3.864 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 333.6 |
| Relative PSA | 0.20824 |
| PolarSurfaceArea | 75.93 |
| Druglikeness | -0.94301 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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