N-(3-morpholin-4-ylpropyl)-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide
Formula:C21H29N3O3S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3-morpholin-4-ylpropyl)-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide is a drug-like molecule.
| MolName | N-(3-morpholin-4-ylpropyl)-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide |
| MolecularFormula | C21H29N3O3S3 |
| Smiles | O=C(CCCCCN(C(/C(/S1)=C/c2cccs2)=O)C1=S)NCCCN1CCOCC1 |
| InChI | InChI=1S/C21H29N3O3S3/c25-19(22-8-5-9-23-11-13-27-14-12-23)7-2-1-3-10-24-20(26)18(30-21(24)28)16-17-6-4-15-29-17/h4,6,15-16H,1-3,5,7-14H2,(H,22,25) |
| InChIK | ZBNMVKMVYUMSFC-UHFFFAOYSA-N |
| TotalMolweight | 467.677 |
| Molweight | 467.677 |
| MonoisotopicMass | 467.137102 |
| CLogP | 2.2882 |
| CLogS | -3.755 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 359.79 |
| Relative PSA | 0.33489 |
| PolarSurfaceArea | 147.51 |
| Druglikeness | -2.7743 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 11 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 16 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-(3-morpholin-4-ylpropyl)-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide | 2 - N-(3-morpholin-4-ylpropyl)-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off