(2R,4R)-2,4-bis(4-hydroxyphenyl)-3-pyridin-2-yl-2,4-dihydrochromeno[3,4-e][1,3]oxazin-5-one
Formula:C28H20N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2R,4R)-2,4-bis(4-hydroxyphenyl)-3-pyridin-2-yl-2,4-dihydrochromeno[3,4-e][1,3]oxazin-5-one is a drug-like molecule.
| MolName | (2R,4R)-2,4-bis(4-hydroxyphenyl)-3-pyridin-2-yl-2,4-dihydrochromeno[3,4-e][1,3]oxazin-5-one |
| MolecularFormula | C28H20N2O5 |
| Smiles | Oc1ccc([C@H](C(C(Oc2c3cccc2)=O)=C3O[C@@H]2c(cc3)ccc3O)N2c2ncccc2)cc1 |
| InChI | InChI=1S/C28H20N2O5/c31-19-12-8-17(9-13-19)25-24-26(21-5-1-2-6-22(21)34-28(24)33)35-27(18-10-14-20(32)15-11-18)30(25)23-7-3-4-16-29-23/h1-16,25,27,31-32H/t25-,27+/m1/s1 |
| InChIK | NDCSBXHKBVJGCY-VPUSJEBWSA-N |
| TotalMolweight | 464.476 |
| Molweight | 464.476 |
| MonoisotopicMass | 464.137223 |
| CLogP | 4.2082 |
| CLogS | -4.712 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 332.97 |
| Relative PSA | 0.22152 |
| PolarSurfaceArea | 92.12 |
| Druglikeness | 1.4199 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.37143 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (2R,4R)-2,4-bis(4-hydroxyphenyl)-3-pyridin-2-yl-2,4-dihydrochromeno[3,4-e][1,3]oxazin-5-one | 2 - (2R,4R)-2,4-bis(4-hydroxyphenyl)-3-pyridin-2-yl-2,4-dihydrochromeno[3,4-e][1,3]oxazin-5-one
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