(4-methyl-6-oxobenzo[c]chromen-3-yl) (2R)-2-(phenylmethoxycarbonylamino)butanoate
Formula:C26H23NO6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4-methyl-6-oxobenzo[c]chromen-3-yl) (2R)-2-(phenylmethoxycarbonylamino)butanoate is a drug-like molecule.
| MolName | (4-methyl-6-oxobenzo[c]chromen-3-yl) (2R)-2-(phenylmethoxycarbonylamino)butanoate |
| MolecularFormula | C26H23NO6 |
| Smiles | CC[C@H](C(Oc(cc1)c(C)c(O2)c1-c(cccc1)c1C2=O)=O)NC(OCc1ccccc1)=O |
| InChI | InChI=1S/C26H23NO6/c1-3-21(27-26(30)31-15-17-9-5-4-6-10-17)25(29)32-22-14-13-19-18-11-7-8-12-20(18)24(28)33-23(19)16(22)2/h4-14,21H,3,15H2,1-2H3,(H,27,30)/t21-/m1/s1 |
| InChIK | WKZFOIKWXARRGF-OAQYLSRUSA-N |
| TotalMolweight | 445.47 |
| Molweight | 445.47 |
| MonoisotopicMass | 445.152539 |
| CLogP | 4.8388 |
| CLogS | -6.783 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 338.53 |
| Relative PSA | 0.23803 |
| PolarSurfaceArea | 90.93 |
| Druglikeness | -10.95 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | this enantiomer |
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