N-[(Z)-[5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
Formula:C30H21N5O3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide |
| MolecularFormula | C30H21N5O3S |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C\c(o1)ccc1Sc1nnc(-c2ccccc2)n1-c1ccccc1)=O |
| InChI | InChI=1S/C30H21N5O3S/c36-26-18-22-12-8-7-11-21(22)17-25(26)29(37)33-31-19-24-15-16-27(38-24)39-30-34-32-28(20-9-3-1-4-10-20)35(30)23-13-5-2-6-14-23/h1-19,36H,(H,33,37) |
| InChIK | WPSPGWAXMIHLPW-UHFFFAOYSA-N |
| TotalMolweight | 531.595 |
| Molweight | 531.595 |
| MonoisotopicMass | 531.13651 |
| CLogP | 6.2749 |
| CLogS | -10.415 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 401.12 |
| Relative PSA | 0.27304 |
| PolarSurfaceArea | 130.84 |
| Druglikeness | 7.2556 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 32 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide | 2 - N-[(Z)-[5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
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