N-[(Z)-[5-[(1R)-cyclopent-2-en-1-yl]thiophen-2-yl]methylideneamino]-1H-indole-7-carboxamide
Formula:C19H17N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[5-[(1R)-cyclopent-2-en-1-yl]thiophen-2-yl]methylideneamino]-1H-indole-7-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[5-[(1R)-cyclopent-2-en-1-yl]thiophen-2-yl]methylideneamino]-1H-indole-7-carboxamide |
| MolecularFormula | C19H17N3OS |
| Smiles | O=C(c1c2[nH]ccc2ccc1)N/N=C\c1ccc([C@H]2C=CCC2)s1 |
| InChI | InChI=1S/C19H17N3OS/c23-19(16-7-3-6-14-10-11-20-18(14)16)22-21-12-15-8-9-17(24-15)13-4-1-2-5-13/h1,3-4,6-13,20H,2,5H2,(H,22,23)/t13-/m0/s1 |
| InChIK | QUQPZVNQSPRAQQ-ZDUSSCGKSA-N |
| TotalMolweight | 335.43 |
| Molweight | 335.43 |
| MonoisotopicMass | 335.109232 |
| CLogP | 4.7092 |
| CLogS | -5.635 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 260.12 |
| Relative PSA | 0.27049 |
| PolarSurfaceArea | 85.49 |
| Druglikeness | 2.4714 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
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1 - N-[(Z)-[5-[(1R)-cyclopent-2-en-1-yl]thiophen-2-yl]methylideneamino]-1H-indole-7-carboxamide | 2 - N-[(Z)-[5-[(1R)-cyclopent-2-en-1-yl]thiophen-2-yl]methylideneamino]-1H-indole-7-carboxamide
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