4-bromo-N-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide
Formula:C21H17N2O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide is a drug-like molecule.
| MolName | 4-bromo-N-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide |
| MolecularFormula | C21H17N2O3BrS |
| Smiles | O=S(c(cc1)ccc1Br)(N/N=C(\C1)/c(cccc2)c2OC1c1ccccc1)=O |
| InChI | InChI=1S/C21H17BrN2O3S/c22-16-10-12-17(13-11-16)28(25,26)24-23-19-14-21(15-6-2-1-3-7-15)27-20-9-5-4-8-18(19)20/h1-13,21,24H,14H2/t21-/m1/s1 |
| InChIK | VNWTYPOBKJWJPR-OAQYLSRUSA-N |
| TotalMolweight | 457.347 |
| Molweight | 457.347 |
| MonoisotopicMass | 456.014324 |
| CLogP | 4.6022 |
| CLogS | -4.338 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 297.18 |
| Relative PSA | 0.20711 |
| PolarSurfaceArea | 76.14 |
| Druglikeness | 2.6367 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| StereoCon | racemate |
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1 - 4-bromo-N-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide | 2 - 4-bromo-N-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide
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