N-(3-chlorophenyl)-2-[(3Z)-2-oxo-3-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]acetamide
Formula:C27H20N3O3ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3-chlorophenyl)-2-[(3Z)-2-oxo-3-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]acetamide is not a drug-like molecule.
| MolName | N-(3-chlorophenyl)-2-[(3Z)-2-oxo-3-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]acetamide |
| MolecularFormula | C27H20N3O3ClS2 |
| Smiles | O=C(CN(c(cccc1)c1/C1=C(\C(N2CCc3ccccc3)=O)/SC2=S)C1=O)Nc1cccc(Cl)c1 |
| InChI | InChI=1S/C27H20ClN3O3S2/c28-18-9-6-10-19(15-18)29-22(32)16-31-21-12-5-4-11-20(21)23(25(31)33)24-26(34)30(27(35)36-24)14-13-17-7-2-1-3-8-17/h1-12,15H,13-14,16H2,(H,29,32) |
| InChIK | QBXYIRQYSRBWKR-UHFFFAOYSA-N |
| TotalMolweight | 534.059 |
| Molweight | 534.059 |
| MonoisotopicMass | 533.063459 |
| CLogP | 3.4011 |
| CLogS | -6.176 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 380.91 |
| Relative PSA | 0.27085 |
| PolarSurfaceArea | 127.11 |
| Druglikeness | 5.5225 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-(3-chlorophenyl)-2-[(3Z)-2-oxo-3-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]acetamide | 2 - N-(3-chlorophenyl)-2-[(3Z)-2-oxo-3-[4-oxo-3-(2-phenylethyl)-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