4-[3-(4-nitrophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
Formula:C15H13N5O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[3-(4-nitrophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]morpholine is a drug-like molecule.
| MolName | 4-[3-(4-nitrophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]morpholine |
| MolecularFormula | C15H13N5O3S |
| Smiles | [O-][N+](c(cc1)ccc1-c1nsc2c(N3CCOCC3)ncnc12)=O |
| InChI | InChI=1S/C15H13N5O3S/c21-20(22)11-3-1-10(2-4-11)12-13-14(24-18-12)15(17-9-16-13)19-5-7-23-8-6-19/h1-4,9H,5-8H2 |
| InChIK | JZNCSTBKQUODPL-UHFFFAOYSA-N |
| TotalMolweight | 343.366 |
| Molweight | 343.366 |
| MonoisotopicMass | 343.07391 |
| CLogP | 1.3982 |
| CLogS | -2.952 |
| H Acceptors | 8 |
| TotalSurfaceArea | 245.35 |
| Relative PSA | 0.39633 |
| PolarSurfaceArea | 125.2 |
| Druglikeness | -3.4031 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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