benzyl N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]propan-2-yl]carbamate
Formula:C25H23N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
benzyl N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]propan-2-yl]carbamate is a drug-like molecule.
| MolName | benzyl N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]propan-2-yl]carbamate |
| MolecularFormula | C25H23N5O3 |
| Smiles | O=C([C@@H](Cc1c[nH]c2c1cccc2)NC(OCc1ccccc1)=O)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C25H23N5O3/c31-24(30-28-15-19-9-6-12-26-14-19)23(13-20-16-27-22-11-5-4-10-21(20)22)29-25(32)33-17-18-7-2-1-3-8-18/h1-12,14-16,23,27H,13,17H2,(H,29,32)(H,30,31)/t23-/m1/s1 |
| InChIK | STXLABBESMLQJC-HSZRJFAPSA-N |
| TotalMolweight | 441.49 |
| Molweight | 441.49 |
| MonoisotopicMass | 441.18009 |
| CLogP | 3.3025 |
| CLogS | -5.199 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 348.91 |
| Relative PSA | 0.27362 |
| PolarSurfaceArea | 108.47 |
| Druglikeness | -7.2537 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - benzyl N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]propan-2-yl]carbamate | 2 - benzyl N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]propan-2-yl]carbamate
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