N-[(Z)-benzylideneamino]-3-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanamide
Formula:C21H20N3O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-3-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-3-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanamide |
| MolecularFormula | C21H20N3O4ClS |
| Smiles | O=C(CCN(Cc1ccco1)S(c(cc1)ccc1Cl)(=O)=O)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C21H20ClN3O4S/c22-18-8-10-20(11-9-18)30(27,28)25(16-19-7-4-14-29-19)13-12-21(26)24-23-15-17-5-2-1-3-6-17/h1-11,14-15H,12-13,16H2,(H,24,26) |
| InChIK | VYBAAPKVKKOUPX-UHFFFAOYSA-N |
| TotalMolweight | 445.926 |
| Molweight | 445.926 |
| MonoisotopicMass | 445.086304 |
| CLogP | 3.7323 |
| CLogS | -4.633 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 332.02 |
| Relative PSA | 0.24773 |
| PolarSurfaceArea | 100.36 |
| Druglikeness | 7.4137 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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