3-(benzotriazol-1-yl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]propanamide
Formula:C23H21N5O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-(benzotriazol-1-yl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]propanamide is a drug-like molecule.
| MolName | 3-(benzotriazol-1-yl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]propanamide |
| MolecularFormula | C23H21N5O2 |
| Smiles | O=C(CCn1nnc2c1cccc2)N/N=C\c(cccc1)c1OCc1ccccc1 |
| InChI | InChI=1S/C23H21N5O2/c29-23(14-15-28-21-12-6-5-11-20(21)25-27-28)26-24-16-19-10-4-7-13-22(19)30-17-18-8-2-1-3-9-18/h1-13,16H,14-15,17H2,(H,26,29) |
| InChIK | HJNYEDJDYLXTKQ-UHFFFAOYSA-N |
| TotalMolweight | 399.453 |
| Molweight | 399.453 |
| MonoisotopicMass | 399.169525 |
| CLogP | 3.646 |
| CLogS | -4.951 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 319.35 |
| Relative PSA | 0.23429 |
| PolarSurfaceArea | 81.4 |
| Druglikeness | 0.93984 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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