6-(2-nitrophenyl)sulfanyl-5-phenyl-3-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one
Formula:C23H14N4O3S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-(2-nitrophenyl)sulfanyl-5-phenyl-3-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one is not a drug-like molecule.
| MolName | 6-(2-nitrophenyl)sulfanyl-5-phenyl-3-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one |
| MolecularFormula | C23H14N4O3S3 |
| Smiles | [O-][N+](c(cccc1)c1Sc(sc(N=CN1/N=C\c2cccs2)c2C1=O)c2-c1ccccc1)=O |
| InChI | InChI=1S/C23H14N4O3S3/c28-22-20-19(15-7-2-1-3-8-15)23(32-18-11-5-4-10-17(18)27(29)30)33-21(20)24-14-26(22)25-13-16-9-6-12-31-16/h1-14H |
| InChIK | IPNKXQNSEKJNAC-UHFFFAOYSA-N |
| TotalMolweight | 490.587 |
| Molweight | 490.587 |
| MonoisotopicMass | 490.022801 |
| CLogP | 5.076 |
| CLogS | -8.208 |
| H Acceptors | 7 |
| TotalSurfaceArea | 349.65 |
| Relative PSA | 0.36677 |
| PolarSurfaceArea | 172.63 |
| Druglikeness | 1.8018 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 6-(2-nitrophenyl)sulfanyl-5-phenyl-3-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one | 2 - 6-(2-nitrophenyl)sulfanyl-5-phenyl-3-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one
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