(6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[[4-(3-phenoxypropoxy)phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:C27H27N5O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[[4-(3-phenoxypropoxy)phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is not a drug-like molecule.
| MolName | (6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[[4-(3-phenoxypropoxy)phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one |
| MolecularFormula | C27H27N5O5S |
| Smiles | N=C(/C1=C/c(cc2)ccc2OCCCOc2ccccc2)N2N=C(CC(N3CCOCC3)=O)SC2=NC1=O |
| InChI | InChI=1S/C27H27N5O5S/c28-25-22(17-19-7-9-21(10-8-19)37-14-4-13-36-20-5-2-1-3-6-20)26(34)29-27-32(25)30-23(38-27)18-24(33)31-11-15-35-16-12-31/h1-3,5-10,17,28H,4,11-16,18H2 |
| InChIK | VLXIMKKQZIJMSQ-UHFFFAOYSA-N |
| TotalMolweight | 533.607 |
| Molweight | 533.607 |
| MonoisotopicMass | 533.17329 |
| CLogP | 1.7369 |
| CLogS | -2.816 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 397.15 |
| Relative PSA | 0.30037 |
| PolarSurfaceArea | 142.18 |
| Druglikeness | 6.3758 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.65789 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 6 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[[4-(3-phenoxypropoxy)phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[[4-(3-phenoxypropoxy)phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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