N-[(Z)-naphthalen-1-ylmethylideneamino]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Formula:C29H24N4O2S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-naphthalen-1-ylmethylideneamino]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide |
| MolecularFormula | C29H24N4O2S2 |
| Smiles | O=C(CSC(N1c2ccccc2)=Nc(sc2c3CCCC2)c3C1=O)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C29H24N4O2S2/c34-25(32-30-17-20-11-8-10-19-9-4-5-14-22(19)20)18-36-29-31-27-26(23-15-6-7-16-24(23)37-27)28(35)33(29)21-12-2-1-3-13-21/h1-5,8-14,17H,6-7,15-16,18H2,(H,32,34) |
| InChIK | AYPJLTNSAGKPQY-UHFFFAOYSA-N |
| TotalMolweight | 524.668 |
| Molweight | 524.668 |
| MonoisotopicMass | 524.134066 |
| CLogP | 6.6179 |
| CLogS | -8.983 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 387.6 |
| Relative PSA | 0.26305 |
| PolarSurfaceArea | 127.67 |
| Druglikeness | 2.463 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48649 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-naphthalen-1-ylmethylideneamino]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide | 2 - N-[(Z)-naphthalen-1-ylmethylideneamino]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
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