(4S,8Z)-2-amino-6-benzyl-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Formula:C25H21N3OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4S,8Z)-2-amino-6-benzyl-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile is a drug-like molecule.
| MolName | (4S,8Z)-2-amino-6-benzyl-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile |
| MolecularFormula | C25H21N3OS2 |
| Smiles | NC(OC(/C(/CN(Cc1ccccc1)C1)=C\c2cccs2)=C1[C@@H]1c2cccs2)=C1C#N |
| InChI | InChI=1S/C25H21N3OS2/c26-13-20-23(22-9-5-11-31-22)21-16-28(14-17-6-2-1-3-7-17)15-18(24(21)29-25(20)27)12-19-8-4-10-30-19/h1-12,23H,14-16,27H2/t23-/m0/s1 |
| InChIK | PDLZOMBDWSRKFQ-QHCPKHFHSA-N |
| TotalMolweight | 443.594 |
| Molweight | 443.594 |
| MonoisotopicMass | 443.112602 |
| CLogP | 4.9195 |
| CLogS | -6.637 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 332.52 |
| Relative PSA | 0.24991 |
| PolarSurfaceArea | 118.76 |
| Druglikeness | 0.080076 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.3871 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 2 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (4S,8Z)-2-amino-6-benzyl-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile | 2 - (4S,8Z)-2-amino-6-benzyl-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
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