(6Z)-5-imino-3-phenyl-6-[[1-[2-(2-prop-2-enylphenoxy)ethyl]pyrrol-2-yl]methylidene]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Formula:C28H24N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-5-imino-3-phenyl-6-[[1-[2-(2-prop-2-enylphenoxy)ethyl]pyrrol-2-yl]methylidene]-[1,3]thiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.
| MolName | (6Z)-5-imino-3-phenyl-6-[[1-[2-(2-prop-2-enylphenoxy)ethyl]pyrrol-2-yl]methylidene]-[1,3]thiazolo[3,2-a]pyrimidin-7-one |
| MolecularFormula | C28H24N4O2S |
| Smiles | C=CCc(cccc1)c1OCCn1c(/C=C(/C(N(C(c2ccccc2)=CS2)C2=N2)=N)\C2=O)ccc1 |
| InChI | InChI=1S/C28H24N4O2S/c1-2-9-21-12-6-7-14-25(21)34-17-16-31-15-8-13-22(31)18-23-26(29)32-24(20-10-4-3-5-11-20)19-35-28(32)30-27(23)33/h2-8,10-15,18-19,29H,1,9,16-17H2 |
| InChIK | YOPBFACIEZYSLB-UHFFFAOYSA-N |
| TotalMolweight | 480.591 |
| Molweight | 480.591 |
| MonoisotopicMass | 480.161996 |
| CLogP | 4.0164 |
| CLogS | -3.847 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 369.04 |
| Relative PSA | 0.21152 |
| PolarSurfaceArea | 95.98 |
| Druglikeness | 1.9873 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (6Z)-5-imino-3-phenyl-6-[[1-[2-(2-prop-2-enylphenoxy)ethyl]pyrrol-2-yl]methylidene]-[1,3]thiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-5-imino-3-phenyl-6-[[1-[2-(2-prop-2-enylphenoxy)ethyl]pyrrol-2-yl]methylidene]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off