N-benzyl-2-[(3Z)-2-oxo-3-[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]acetamide
Formula:C25H23N3O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-2-[(3Z)-2-oxo-3-[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]acetamide is a drug-like molecule.
| MolName | N-benzyl-2-[(3Z)-2-oxo-3-[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]acetamide |
| MolecularFormula | C25H23N3O4S2 |
| Smiles | O=C(CN(c(cccc1)c1/C1=C(\C(N2CC3OCCC3)=O)/SC2=S)C1=O)NCc1ccccc1 |
| InChI | InChI=1S/C25H23N3O4S2/c29-20(26-13-16-7-2-1-3-8-16)15-27-19-11-5-4-10-18(19)21(23(27)30)22-24(31)28(25(33)34-22)14-17-9-6-12-32-17/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,26,29)/t17-/m1/s1 |
| InChIK | YXEFJKKVEHSUTN-QGZVFWFLSA-N |
| TotalMolweight | 493.607 |
| Molweight | 493.607 |
| MonoisotopicMass | 493.112997 |
| CLogP | 0.9561 |
| CLogS | -4.506 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 356.01 |
| Relative PSA | 0.31788 |
| PolarSurfaceArea | 136.34 |
| Druglikeness | 4.0289 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| Amides | 3 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-benzyl-2-[(3Z)-2-oxo-3-[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]acetamide | 2 - N-benzyl-2-[(3Z)-2-oxo-3-[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off