3-carbazol-9-yl-N-[(Z)-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropoxy]phenyl]methylideneamino]propanamide
Formula:C37H32N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-carbazol-9-yl-N-[(Z)-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropoxy]phenyl]methylideneamino]propanamide is not a drug-like molecule.
| MolName | 3-carbazol-9-yl-N-[(Z)-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropoxy]phenyl]methylideneamino]propanamide |
| MolecularFormula | C37H32N4O3 |
| Smiles | O[C@@H](Cn1c(cccc2)c2c2c1cccc2)COc1ccc(/C=N\NC(CCn2c(cccc3)c3c3c2cccc3)=O)cc1 |
| InChI | InChI=1S/C37H32N4O3/c42-27(24-41-35-15-7-3-11-31(35)32-12-4-8-16-36(32)41)25-44-28-19-17-26(18-20-28)23-38-39-37(43)21-22-40-33-13-5-1-9-29(33)30-10-2-6-14-34(30)40/h1-20,23,27,42H,21-22,24-25H2,(H,39,43)/t27-/m0/s1 |
| InChIK | JOHTXUHJYQZQSZ-MHZLTWQESA-N |
| TotalMolweight | 580.686 |
| Molweight | 580.686 |
| MonoisotopicMass | 580.247441 |
| CLogP | 6.8361 |
| CLogS | -7.662 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 447.44 |
| Relative PSA | 0.16282 |
| PolarSurfaceArea | 80.78 |
| Druglikeness | 7.4292 |
| 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 | 44 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 10 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 7 |
| Aromatic Atoms | 32 |
| Sp3Atoms | 7 |
| Symmetricatoms | 14 |
| Aromatic Nitrogens | 2 |
| StereoCon | this enantiomer |
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1 - 3-carbazol-9-yl-N-[(Z)-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropoxy]phenyl]methylideneamino]propanamide | 2 - 3-carbazol-9-yl-N-[(Z)-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropoxy]phenyl]methylideneamino]propanamide
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