[(Z)-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino] N-cyclohexylcarbamate
Formula:C20H25N5O4
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
[(Z)-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino] N-cyclohexylcarbamate is a drug-like molecule.
| MolName | [(Z)-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino] N-cyclohexylcarbamate |
| MolecularFormula | C20H25N5O4 |
| Smiles | O=C(NC1CCCCC1)O/N=C\C1=C(N2CCOCC2)N=C(C=CC=C2)N2C1=O |
| InChI | InChI=1S/C20H25N5O4/c26-19-16(14-21-29-20(27)22-15-6-2-1-3-7-15)18(24-10-12-28-13-11-24)23-17-8-4-5-9-25(17)19/h4-5,8-9,14-15H,1-3,6-7,10-13H2,(H,22,27) |
| InChIK | UOIMJINXLYXYBC-UHFFFAOYSA-N |
| TotalMolweight | 399.45 |
| Molweight | 399.45 |
| MonoisotopicMass | 399.190655 |
| CLogP | 1.2239 |
| CLogS | -4.353 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 307.05 |
| Relative PSA | 0.28549 |
| PolarSurfaceArea | 95.83 |
| Druglikeness | -11.959 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Sp3Atoms | 12 |
| Symmetricatoms | 4 |
| Amides | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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