(E)-2-(benzotriazol-1-yl)-4-morpholin-4-yl-1,1-diphenylbut-3-en-1-ol
Formula:C26H26N4O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-2-(benzotriazol-1-yl)-4-morpholin-4-yl-1,1-diphenylbut-3-en-1-ol is a drug-like molecule.
| MolName | (E)-2-(benzotriazol-1-yl)-4-morpholin-4-yl-1,1-diphenylbut-3-en-1-ol |
| MolecularFormula | C26H26N4O2 |
| Smiles | OC(C(/C=C/N1CCOCC1)n1nnc2c1cccc2)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C26H26N4O2/c31-26(21-9-3-1-4-10-21,22-11-5-2-6-12-22)25(15-16-29-17-19-32-20-18-29)30-24-14-8-7-13-23(24)27-28-30/h1-16,25,31H,17-20H2/t25-/m1/s1 |
| InChIK | CHHAXADWVSQZMQ-RUZDIDTESA-N |
| TotalMolweight | 426.518 |
| Molweight | 426.518 |
| MonoisotopicMass | 426.205576 |
| CLogP | 2.7449 |
| CLogS | -3.248 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 331.7 |
| Relative PSA | 0.1672 |
| PolarSurfaceArea | 63.41 |
| Druglikeness | -1.4403 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 9 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - (E)-2-(benzotriazol-1-yl)-4-morpholin-4-yl-1,1-diphenylbut-3-en-1-ol | 2 - (E)-2-(benzotriazol-1-yl)-4-morpholin-4-yl-1,1-diphenylbut-3-en-1-ol
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