N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide
Formula:C20H19N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide is a drug-like molecule.
| MolName | N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide |
| MolecularFormula | C20H19N3O3 |
| Smiles | O=C(CCc1c[nH]c2c1cccc2)N/N=C\c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C20H19N3O3/c24-20(8-6-15-13-21-17-4-2-1-3-16(15)17)23-22-12-14-5-7-18-19(11-14)26-10-9-25-18/h1-5,7,11-13,21H,6,8-10H2,(H,23,24) |
| InChIK | CVYDUKUNYAMNBY-UHFFFAOYSA-N |
| TotalMolweight | 349.389 |
| Molweight | 349.389 |
| MonoisotopicMass | 349.142642 |
| CLogP | 3.6723 |
| CLogS | -4.663 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 272.7 |
| Relative PSA | 0.25669 |
| PolarSurfaceArea | 75.71 |
| Druglikeness | -3.3453 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide | 2 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide
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