(4R)-2-amino-4-[2-[(2-chlorophenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
Formula:C25H23N2O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4R)-2-amino-4-[2-[(2-chlorophenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile is a drug-like molecule.
| MolName | (4R)-2-amino-4-[2-[(2-chlorophenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile |
| MolecularFormula | C25H23N2O3Cl |
| Smiles | CC(C)(C1)CC(OC(N)=C([C@H]2c3c(COc(cccc4)c4Cl)cccc3)C#N)=C2C1=O |
| InChI | InChI=1S/C25H23ClN2O3/c1-25(2)11-19(29)23-21(12-25)31-24(28)17(13-27)22(23)16-8-4-3-7-15(16)14-30-20-10-6-5-9-18(20)26/h3-10,22H,11-12,14,28H2,1-2H3/t22-/m1/s1 |
| InChIK | DYVJMPPDNGYFLK-JOCHJYFZSA-N |
| TotalMolweight | 434.922 |
| Molweight | 434.922 |
| MonoisotopicMass | 434.13972 |
| CLogP | 4.9221 |
| CLogS | -7.353 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 323.97 |
| Relative PSA | 0.19097 |
| PolarSurfaceArea | 85.34 |
| Druglikeness | -4.9833 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | polar activated DB |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (4R)-2-amino-4-[2-[(2-chlorophenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile | 2 - (4R)-2-amino-4-[2-[(2-chlorophenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
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