N-(1,3-benzodioxol-5-yl)-2-[3-[(Z)-(carbamothioylhydrazinylidene)methyl]indol-1-yl]acetamide
Formula:C19H17N5O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(1,3-benzodioxol-5-yl)-2-[3-[(Z)-(carbamothioylhydrazinylidene)methyl]indol-1-yl]acetamide is a drug-like molecule.
| MolName | N-(1,3-benzodioxol-5-yl)-2-[3-[(Z)-(carbamothioylhydrazinylidene)methyl]indol-1-yl]acetamide |
| MolecularFormula | C19H17N5O3S |
| Smiles | NC(N/N=C\c1cn(CC(Nc(cc2)cc3c2OCO3)=O)c2c1cccc2)=S |
| InChI | InChI=1S/C19H17N5O3S/c20-19(28)23-21-8-12-9-24(15-4-2-1-3-14(12)15)10-18(25)22-13-5-6-16-17(7-13)27-11-26-16/h1-9H,10-11H2,(H,22,25)(H3,20,23,28) |
| InChIK | BQYSURBFSOSCHY-UHFFFAOYSA-N |
| TotalMolweight | 395.442 |
| Molweight | 395.442 |
| MonoisotopicMass | 395.10521 |
| CLogP | 2.4577 |
| CLogS | -4.776 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 297.5 |
| Relative PSA | 0.39533 |
| PolarSurfaceArea | 134.99 |
| Druglikeness | 5.423 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-(1,3-benzodioxol-5-yl)-2-[3-[(Z)-(carbamothioylhydrazinylidene)methyl]indol-1-yl]acetamide | 2 - N-(1,3-benzodioxol-5-yl)-2-[3-[(Z)-(carbamothioylhydrazinylidene)methyl]indol-1-yl]acetamide
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