5,7-diphenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
Formula:C19H13N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
5,7-diphenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one is a drug-like molecule.
| MolName | 5,7-diphenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one |
| MolecularFormula | C19H13N3OS |
| Smiles | O=C(c(c(-c1ccccc1)c1)c(N2)nc1-c1ccccc1)NC2=S |
| InChI | InChI=1S/C19H13N3OS/c23-18-16-14(12-7-3-1-4-8-12)11-15(13-9-5-2-6-10-13)20-17(16)21-19(24)22-18/h1-11H,(H2,20,21,22,23,24) |
| InChIK | FTFQQUYROKDXSH-UHFFFAOYSA-N |
| TotalMolweight | 331.398 |
| Molweight | 331.398 |
| MonoisotopicMass | 331.077932 |
| CLogP | 3.6324 |
| CLogS | -6.181 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 251.42 |
| Relative PSA | 0.29803 |
| PolarSurfaceArea | 86.11 |
| Druglikeness | 0.51491 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.45833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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