2-naphthalen-1-yl-N-[(Z)-[5-(1-phenyltetrazol-5-yl)sulfanylfuran-2-yl]methylideneamino]acetamide
Formula:C24H18N6O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-naphthalen-1-yl-N-[(Z)-[5-(1-phenyltetrazol-5-yl)sulfanylfuran-2-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-naphthalen-1-yl-N-[(Z)-[5-(1-phenyltetrazol-5-yl)sulfanylfuran-2-yl]methylideneamino]acetamide |
| MolecularFormula | C24H18N6O2S |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\c(o1)ccc1Sc1nnnn1-c1ccccc1 |
| InChI | InChI=1S/C24H18N6O2S/c31-22(15-18-9-6-8-17-7-4-5-12-21(17)18)26-25-16-20-13-14-23(32-20)33-24-27-28-29-30(24)19-10-2-1-3-11-19/h1-14,16H,15H2,(H,26,31) |
| InChIK | RTDMBOQZJROBQJ-UHFFFAOYSA-N |
| TotalMolweight | 454.513 |
| Molweight | 454.513 |
| MonoisotopicMass | 454.121194 |
| CLogP | 4.642 |
| CLogS | -6.591 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 347.53 |
| Relative PSA | 0.30901 |
| PolarSurfaceArea | 123.5 |
| Druglikeness | 5.507 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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