N-(3,5-dimethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
Formula:C12H15N5O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3,5-dimethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is a drug-like molecule.
| MolName | N-(3,5-dimethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide |
| MolecularFormula | C12H15N5O3S |
| Smiles | Cn1nnnc1SCC(Nc1cc(OC)cc(OC)c1)=O |
| InChI | InChI=1S/C12H15N5O3S/c1-17-12(14-15-16-17)21-7-11(18)13-8-4-9(19-2)6-10(5-8)20-3/h4-6H,7H2,1-3H3,(H,13,18) |
| InChIK | IBIOCUQTFWSJMS-UHFFFAOYSA-N |
| TotalMolweight | 309.349 |
| Molweight | 309.349 |
| MonoisotopicMass | 309.08956 |
| CLogP | 0.9141 |
| CLogS | -2.806 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 235.74 |
| Relative PSA | 0.4317 |
| PolarSurfaceArea | 116.46 |
| Druglikeness | 1.7323 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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