N-[(Z)-[2-(azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide
Formula:C22H23N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-(azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-[2-(azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide |
| MolecularFormula | C22H23N5O3 |
| Smiles | Oc(cccc1)c1C(N/N=C\C1=C(N2CCCCCC2)N=C(C=CC=C2)N2C1=O)=O |
| InChI | InChI=1S/C22H23N5O3/c28-18-10-4-3-9-16(18)21(29)25-23-15-17-20(26-12-6-1-2-7-13-26)24-19-11-5-8-14-27(19)22(17)30/h3-5,8-11,14-15,28H,1-2,6-7,12-13H2,(H,25,29) |
| InChIK | HHEJRLUATQUICL-UHFFFAOYSA-N |
| TotalMolweight | 405.457 |
| Molweight | 405.457 |
| MonoisotopicMass | 405.18009 |
| CLogP | 1.8268 |
| CLogS | -4.583 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 312.88 |
| Relative PSA | 0.25812 |
| PolarSurfaceArea | 97.6 |
| Druglikeness | 3.2139 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[2-(azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide | 2 - N-[(Z)-[2-(azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide
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