(Z)-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide
Formula:C24H22N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (Z)-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide |
| MolecularFormula | C24H22N3O2Cl |
| Smiles | N#C/C(/C(NCC1OCCC1)=O)=C/c1cn(Cc(cc2)ccc2Cl)c2c1cccc2 |
| InChI | InChI=1S/C24H22ClN3O2/c25-20-9-7-17(8-10-20)15-28-16-19(22-5-1-2-6-23(22)28)12-18(13-26)24(29)27-14-21-4-3-11-30-21/h1-2,5-10,12,16,21H,3-4,11,14-15H2,(H,27,29)/t21-/m1/s1 |
| InChIK | RBWKVKBKANFBLS-OAQYLSRUSA-N |
| TotalMolweight | 419.911 |
| Molweight | 419.911 |
| MonoisotopicMass | 419.140054 |
| CLogP | 3.7151 |
| CLogS | -4.662 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 325.67 |
| Relative PSA | 0.16867 |
| PolarSurfaceArea | 67.05 |
| Druglikeness | -1.3567 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - (Z)-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide | 2 - (Z)-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide
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