diethyl 3-methyl-5-[[2-(2-methylpropylamino)acetyl]amino]thiophene-2,4-dicarboxylate
Formula:C17H26N2O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
diethyl 3-methyl-5-[[2-(2-methylpropylamino)acetyl]amino]thiophene-2,4-dicarboxylate is a drug-like molecule.
| MolName | diethyl 3-methyl-5-[[2-(2-methylpropylamino)acetyl]amino]thiophene-2,4-dicarboxylate |
| MolecularFormula | C17H26N2O5S |
| Smiles | CCOC(c1c(NC(CNCC(C)C)=O)sc(C(OCC)=O)c1C)=O |
| InChI | InChI=1S/C17H26N2O5S/c1-6-23-16(21)13-11(5)14(17(22)24-7-2)25-15(13)19-12(20)9-18-8-10(3)4/h10,18H,6-9H2,1-5H3,(H,19,20) |
| InChIK | FGIHKJDFOBHEPW-UHFFFAOYSA-N |
| TotalMolweight | 370.468 |
| Molweight | 370.468 |
| MonoisotopicMass | 370.156243 |
| CLogP | 2.508 |
| CLogS | -3.559 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 294.21 |
| Relative PSA | 0.34805 |
| PolarSurfaceArea | 121.97 |
| Druglikeness | -0.72661 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 11 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 13 |
| Symmetricatoms | 1 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - diethyl 3-methyl-5-[[2-(2-methylpropylamino)acetyl]amino]thiophene-2,4-dicarboxylate | 2 - diethyl 3-methyl-5-[[2-(2-methylpropylamino)acetyl]amino]thiophene-2,4-dicarboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off