N'-(benzenesulfonyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)benzenecarboximidamide
Formula:C21H21N5O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(benzenesulfonyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)benzenecarboximidamide is a drug-like molecule.
| MolName | N'-(benzenesulfonyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)benzenecarboximidamide |
| MolecularFormula | C21H21N5O3S |
| Smiles | O=S(c1ccccc1)(/N=C(\c1ccccc1)/Nc1ncnc(N2CCOCC2)c1)=O |
| InChI | InChI=1S/C21H21N5O3S/c27-30(28,18-9-5-2-6-10-18)25-21(17-7-3-1-4-8-17)24-19-15-20(23-16-22-19)26-11-13-29-14-12-26/h1-10,15-16H,11-14H2,(H,22,23,24,25) |
| InChIK | PAOYABADTZFCDF-UHFFFAOYSA-N |
| TotalMolweight | 423.496 |
| Molweight | 423.496 |
| MonoisotopicMass | 423.13651 |
| CLogP | 2.8183 |
| CLogS | -4.369 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 315.15 |
| Relative PSA | 0.27619 |
| PolarSurfaceArea | 105.16 |
| Druglikeness | -4.4256 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 7 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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