(6Z)-5-imino-6-[[1-(3-phenoxypropyl)indol-3-yl]methylidene]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Formula:C30H24N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-5-imino-6-[[1-(3-phenoxypropyl)indol-3-yl]methylidene]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one is not a drug-like molecule.
| MolName | (6Z)-5-imino-6-[[1-(3-phenoxypropyl)indol-3-yl]methylidene]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one |
| MolecularFormula | C30H24N4O2S |
| Smiles | N=C(/C1=C/c2cn(CCCOc3ccccc3)c3c2cccc3)N(C(c2ccccc2)=CS2)C2=NC1=O |
| InChI | InChI=1S/C30H24N4O2S/c31-28-25(29(35)32-30-34(28)27(20-37-30)21-10-3-1-4-11-21)18-22-19-33(26-15-8-7-14-24(22)26)16-9-17-36-23-12-5-2-6-13-23/h1-8,10-15,18-20,31H,9,16-17H2 |
| InChIK | LPWMRKULNWVNSO-UHFFFAOYSA-N |
| TotalMolweight | 504.613 |
| Molweight | 504.613 |
| MonoisotopicMass | 504.161996 |
| CLogP | 4.7053 |
| CLogS | -4.882 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 379.1 |
| Relative PSA | 0.20591 |
| PolarSurfaceArea | 95.98 |
| Druglikeness | 4.1585 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.54054 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (6Z)-5-imino-6-[[1-(3-phenoxypropyl)indol-3-yl]methylidene]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-5-imino-6-[[1-(3-phenoxypropyl)indol-3-yl]methylidene]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one
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