N-(3-morpholin-4-ylpropyl)-4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide
Formula:C19H25N3O3S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3-morpholin-4-ylpropyl)-4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide is a drug-like molecule.
| MolName | N-(3-morpholin-4-ylpropyl)-4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide |
| MolecularFormula | C19H25N3O3S3 |
| Smiles | O=C(CCCN(C(/C(/S1)=C/c2cccs2)=O)C1=S)NCCCN1CCOCC1 |
| InChI | InChI=1S/C19H25N3O3S3/c23-17(20-6-3-7-21-9-11-25-12-10-21)5-1-8-22-18(24)16(28-19(22)26)14-15-4-2-13-27-15/h2,4,13-14H,1,3,5-12H2,(H,20,23) |
| InChIK | HHDHNYDUHWIXPZ-UHFFFAOYSA-N |
| TotalMolweight | 439.624 |
| Molweight | 439.624 |
| MonoisotopicMass | 439.105802 |
| CLogP | 1.3794 |
| CLogS | -3.215 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 332.27 |
| Relative PSA | 0.36263 |
| PolarSurfaceArea | 147.51 |
| Druglikeness | 4.5557 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 14 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-(3-morpholin-4-ylpropyl)-4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide | 2 - N-(3-morpholin-4-ylpropyl)-4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide
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