N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
Formula:C23H21N3O3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-(morpholin-4-ylmethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-(morpholin-4-ylmethyl)benzamide |
| MolecularFormula | C23H21N3O3Cl2 |
| Smiles | O=C(c1ccc(CN2CCOCC2)cc1)N/N=C\c1ccc(-c(ccc(Cl)c2)c2Cl)o1 |
| InChI | InChI=1S/C23H21Cl2N3O3/c24-18-5-7-20(21(25)13-18)22-8-6-19(31-22)14-26-27-23(29)17-3-1-16(2-4-17)15-28-9-11-30-12-10-28/h1-8,13-14H,9-12,15H2,(H,27,29) |
| InChIK | KBTNHTCSKYBSBQ-UHFFFAOYSA-N |
| TotalMolweight | 458.344 |
| Molweight | 458.344 |
| MonoisotopicMass | 457.095996 |
| CLogP | 4.9444 |
| CLogS | -6.234 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 342.88 |
| Relative PSA | 0.18569 |
| PolarSurfaceArea | 67.07 |
| Druglikeness | 7.2047 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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