(E)-N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-3-(4-nitrophenyl)prop-2-enamide
Formula:C24H23N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-3-(4-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-3-(4-nitrophenyl)prop-2-enamide |
| MolecularFormula | C24H23N3O3 |
| Smiles | [O-][N+](c1ccc(/C=C/C(N(Cc2cccn2Cc2ccccc2)C2CC2)=O)cc1)=O |
| InChI | InChI=1S/C24H23N3O3/c28-24(15-10-19-8-11-22(12-9-19)27(29)30)26(21-13-14-21)18-23-7-4-16-25(23)17-20-5-2-1-3-6-20/h1-12,15-16,21H,13-14,17-18H2 |
| InChIK | FCYPNLNMEJXMKP-UHFFFAOYSA-N |
| TotalMolweight | 401.465 |
| Molweight | 401.465 |
| MonoisotopicMass | 401.173942 |
| CLogP | 2.9871 |
| CLogS | -3.677 |
| H Acceptors | 6 |
| TotalSurfaceArea | 314.24 |
| Relative PSA | 0.17146 |
| PolarSurfaceArea | 71.06 |
| Druglikeness | -2.4016 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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