N-[(Z)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]-2-pyrrol-1-ylbenzamide
Formula:C22H15N5O2ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]-2-pyrrol-1-ylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]-2-pyrrol-1-ylbenzamide |
| MolecularFormula | C22H15N5O2ClF |
| Smiles | O=C(c(cccc1)c1-n1cccc1)N/N=C\c(cc1)ccc1Oc(nc(nc1)Cl)c1F |
| InChI | InChI=1S/C22H15ClFN5O2/c23-22-25-14-18(24)21(27-22)31-16-9-7-15(8-10-16)13-26-28-20(30)17-5-1-2-6-19(17)29-11-3-4-12-29/h1-14H,(H,28,30) |
| InChIK | UXQCFDPLCROLHD-UHFFFAOYSA-N |
| TotalMolweight | 435.845 |
| Molweight | 435.845 |
| MonoisotopicMass | 435.08983 |
| CLogP | 4.5192 |
| CLogS | -8.671 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 325 |
| Relative PSA | 0.23022 |
| PolarSurfaceArea | 81.4 |
| Druglikeness | 3.6659 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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