N-[(Z)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-4-phenylbenzamide
Formula:C21H16N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-4-phenylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-4-phenylbenzamide |
| MolecularFormula | C21H16N4O2 |
| Smiles | N/C(/NC(c(cc1)ccc1-c1ccccc1)=O)=N/c1nc(cccc2)c2o1 |
| InChI | InChI=1S/C21H16N4O2/c22-20(25-21-23-17-8-4-5-9-18(17)27-21)24-19(26)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H3,22,23,24,25,26) |
| InChIK | HLVUPULVKFVVBW-UHFFFAOYSA-N |
| TotalMolweight | 356.384 |
| Molweight | 356.384 |
| MonoisotopicMass | 356.127326 |
| CLogP | 4.0136 |
| CLogS | -6.586 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 276.53 |
| Relative PSA | 0.27614 |
| PolarSurfaceArea | 93.51 |
| Druglikeness | 1.1292 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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