(6Z)-5-imino-6-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Formula:C26H18N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-5-imino-6-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.
| MolName | (6Z)-5-imino-6-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one |
| MolecularFormula | C26H18N4O4S |
| Smiles | N=C(/C1=C/c(cc2)ccc2OCc(cc2)ccc2[N+]([O-])=O)N(C(c2ccccc2)=CS2)C2=NC1=O |
| InChI | InChI=1S/C26H18N4O4S/c27-24-22(25(31)28-26-29(24)23(16-35-26)19-4-2-1-3-5-19)14-17-8-12-21(13-9-17)34-15-18-6-10-20(11-7-18)30(32)33/h1-14,16,27H,15H2 |
| InChIK | WDCOVOXIYBUNAV-UHFFFAOYSA-N |
| TotalMolweight | 482.519 |
| Molweight | 482.519 |
| MonoisotopicMass | 482.104876 |
| CLogP | 3.8129 |
| CLogS | -5.27 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 351.45 |
| Relative PSA | 0.28912 |
| PolarSurfaceArea | 136.87 |
| Druglikeness | -1.8285 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; aromatic nitro |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (6Z)-5-imino-6-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-5-imino-6-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off