(6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[(4-phenylmethoxyphenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:C25H23N5O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[(4-phenylmethoxyphenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.
| MolName | (6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[(4-phenylmethoxyphenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one |
| MolecularFormula | C25H23N5O4S |
| Smiles | N=C(/C1=C/c(cc2)ccc2OCc2ccccc2)N2N=C(CC(N3CCOCC3)=O)SC2=NC1=O |
| InChI | InChI=1S/C25H23N5O4S/c26-23-20(14-17-6-8-19(9-7-17)34-16-18-4-2-1-3-5-18)24(32)27-25-30(23)28-21(35-25)15-22(31)29-10-12-33-13-11-29/h1-9,14,26H,10-13,15-16H2 |
| InChIK | OVUQIDAFGVOOGD-UHFFFAOYSA-N |
| TotalMolweight | 489.555 |
| Molweight | 489.555 |
| MonoisotopicMass | 489.147075 |
| CLogP | 1.2756 |
| CLogS | -2.619 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 359.63 |
| Relative PSA | 0.3039 |
| PolarSurfaceArea | 132.95 |
| Druglikeness | 6.532 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.62857 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[(4-phenylmethoxyphenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[(4-phenylmethoxyphenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off