benzyl N-[2-[(2Z)-2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]carbamate
Formula:C28H24N3O4Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
benzyl N-[2-[(2Z)-2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]carbamate is not a drug-like molecule.
| MolName | benzyl N-[2-[(2Z)-2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]carbamate |
| MolecularFormula | C28H24N3O4Cl |
| Smiles | O=C(CNC(OCc1ccccc1)=O)N/N=C\c(c1ccccc1cc1)c1OCc(cc1)ccc1Cl |
| InChI | InChI=1S/C28H24ClN3O4/c29-23-13-10-21(11-14-23)18-35-26-15-12-22-8-4-5-9-24(22)25(26)16-31-32-27(33)17-30-28(34)36-19-20-6-2-1-3-7-20/h1-16H,17-19H2,(H,30,34)(H,32,33) |
| InChIK | FOOTWMHBUNLFAT-UHFFFAOYSA-N |
| TotalMolweight | 501.969 |
| Molweight | 501.969 |
| MonoisotopicMass | 501.145534 |
| CLogP | 5.6113 |
| CLogS | -7.639 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 387.26 |
| Relative PSA | 0.2079 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | -8.677 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - benzyl N-[2-[(2Z)-2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]carbamate | 2 - benzyl N-[2-[(2Z)-2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]carbamate
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