N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-4-(oxolan-2-ylmethoxy)benzamide
Formula:C23H23N3O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-4-(oxolan-2-ylmethoxy)benzamide is a drug-like molecule.
| MolName | N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-4-(oxolan-2-ylmethoxy)benzamide |
| MolecularFormula | C23H23N3O5S |
| Smiles | O=C(c(cc1)ccc1OCC1OCCC1)NCCN(C(/C(/S1)=C/c2cnccc2)=O)C1=O |
| InChI | InChI=1S/C23H23N3O5S/c27-21(17-5-7-18(8-6-17)31-15-19-4-2-12-30-19)25-10-11-26-22(28)20(32-23(26)29)13-16-3-1-9-24-14-16/h1,3,5-9,13-14,19H,2,4,10-12,15H2,(H,25,27)/t19-/m1/s1 |
| InChIK | QFKUVZDGDPLEOH-LJQANCHMSA-N |
| TotalMolweight | 453.518 |
| Molweight | 453.518 |
| MonoisotopicMass | 453.135842 |
| CLogP | 1.905 |
| CLogS | -3.932 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 337.05 |
| Relative PSA | 0.30438 |
| PolarSurfaceArea | 123.13 |
| Druglikeness | 4.1093 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-4-(oxolan-2-ylmethoxy)benzamide | 2 - N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-4-(oxolan-2-ylmethoxy)benzamide
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