N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-morpholin-4-ylacetamide
Formula:C29H27N4O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-morpholin-4-ylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-morpholin-4-ylacetamide |
| MolecularFormula | C29H27N4O2Br |
| Smiles | O=C(CN1CCOCC1)N/N=C\c(cc1-c2ccccc2)c(-c2ccccc2)n1-c(cc1)ccc1Br |
| InChI | InChI=1S/C29H27BrN4O2/c30-25-11-13-26(14-12-25)34-27(22-7-3-1-4-8-22)19-24(29(34)23-9-5-2-6-10-23)20-31-32-28(35)21-33-15-17-36-18-16-33/h1-14,19-20H,15-18,21H2,(H,32,35) |
| InChIK | OUDBXERAHVQLHU-UHFFFAOYSA-N |
| TotalMolweight | 543.463 |
| Molweight | 543.463 |
| MonoisotopicMass | 542.131737 |
| CLogP | 5.4308 |
| CLogS | -8.444 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 389.94 |
| Relative PSA | 0.14471 |
| PolarSurfaceArea | 58.86 |
| Druglikeness | 4.1647 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.47222 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 7 |
| Symmetricatoms | 8 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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