1-[3-[(Z)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide
Formula:C24H27N5O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[3-[(Z)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide is a drug-like molecule.
| MolName | 1-[3-[(Z)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide |
| MolecularFormula | C24H27N5O3S2 |
| Smiles | NC(C(CC1)CCN1C(N=C1N2C=CC=C1)=C(/C=C(/C(N1C3CCCCC3)=O)\SC1=S)C2=O)=O |
| InChI | InChI=1S/C24H27N5O3S2/c25-20(30)15-9-12-27(13-10-15)21-17(22(31)28-11-5-4-8-19(28)26-21)14-18-23(32)29(24(33)34-18)16-6-2-1-3-7-16/h4-5,8,11,14-16H,1-3,6-7,9-10,12-13H2,(H2,25,30) |
| InChIK | ZOPDXKJAKHQOCU-UHFFFAOYSA-N |
| TotalMolweight | 497.642 |
| Molweight | 497.642 |
| MonoisotopicMass | 497.15553 |
| CLogP | 0.8152 |
| CLogS | -5.331 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 361.31 |
| Relative PSA | 0.33777 |
| PolarSurfaceArea | 156.7 |
| Druglikeness | 2.9345 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Sp3Atoms | 13 |
| Symmetricatoms | 4 |
| Amides | 3 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-[3-[(Z)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide | 2 - 1-[3-[(Z)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide
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