4-morpholin-4-yl-N-[(Z)-(4-phenoxyphenyl)methylideneamino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
Formula:C24H27N7O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
4-morpholin-4-yl-N-[(Z)-(4-phenoxyphenyl)methylideneamino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is not a drug-like molecule.
| MolName | 4-morpholin-4-yl-N-[(Z)-(4-phenoxyphenyl)methylideneamino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine |
| MolecularFormula | C24H27N7O2 |
| Smiles | C(CC1)CN1c1nc(N/N=C\c(cc2)ccc2Oc2ccccc2)nc(N2CCOCC2)n1 |
| InChI | InChI=1S/C24H27N7O2/c1-2-6-20(7-3-1)33-21-10-8-19(9-11-21)18-25-29-22-26-23(30-12-4-5-13-30)28-24(27-22)31-14-16-32-17-15-31/h1-3,6-11,18H,4-5,12-17H2,(H,26,27,28,29) |
| InChIK | CZMWKOJOPMSIKN-UHFFFAOYSA-N |
| TotalMolweight | 445.525 |
| Molweight | 445.525 |
| MonoisotopicMass | 445.222623 |
| CLogP | 5.8181 |
| CLogS | -6.457 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 348.96 |
| Relative PSA | 0.23779 |
| PolarSurfaceArea | 88 |
| Druglikeness | 3.0503 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 10 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - 4-morpholin-4-yl-N-[(Z)-(4-phenoxyphenyl)methylideneamino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine | 2 - 4-morpholin-4-yl-N-[(Z)-(4-phenoxyphenyl)methylideneamino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off