[(Z)-[4-oxo-2-(1-phenyltetrazol-5-yl)sulfanylpyrido[1,2-a]pyrimidin-3-yl]methylideneamino]urea
Formula:C17H13N9O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[4-oxo-2-(1-phenyltetrazol-5-yl)sulfanylpyrido[1,2-a]pyrimidin-3-yl]methylideneamino]urea is not a drug-like molecule.
| MolName | [(Z)-[4-oxo-2-(1-phenyltetrazol-5-yl)sulfanylpyrido[1,2-a]pyrimidin-3-yl]methylideneamino]urea |
| MolecularFormula | C17H13N9O2S |
| Smiles | NC(N/N=C\C(C(N(C=CC=C1)C1=N1)=O)=C1Sc1nnnn1-c1ccccc1)=O |
| InChI | InChI=1S/C17H13N9O2S/c18-16(28)21-19-10-12-14(20-13-8-4-5-9-25(13)15(12)27)29-17-22-23-24-26(17)11-6-2-1-3-7-11/h1-10H,(H3,18,21,28) |
| InChIK | AQIVCURBYYRGPO-UHFFFAOYSA-N |
| TotalMolweight | 407.417 |
| Molweight | 407.417 |
| MonoisotopicMass | 407.091291 |
| CLogP | -0.261 |
| CLogS | -4.261 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 298.42 |
| Relative PSA | 0.45791 |
| PolarSurfaceArea | 169.05 |
| Druglikeness | 5.5359 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB; imine/hydrazone of aldehyde |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - [(Z)-[4-oxo-2-(1-phenyltetrazol-5-yl)sulfanylpyrido[1,2-a]pyrimidin-3-yl]methylideneamino]urea | 2 - [(Z)-[4-oxo-2-(1-phenyltetrazol-5-yl)sulfanylpyrido[1,2-a]pyrimidin-3-yl]methylideneamino]urea
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