N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
Formula:C29H29N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide |
| MolecularFormula | C29H29N3O2 |
| Smiles | O=C(CCn1c(cccc2)c2c2c1CCCC2)N/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C29H29N3O2/c33-29(18-19-32-27-12-6-4-10-25(27)26-11-5-7-13-28(26)32)31-30-20-22-14-16-24(17-15-22)34-21-23-8-2-1-3-9-23/h1-4,6,8-10,12,14-17,20H,5,7,11,13,18-19,21H2,(H,31,33) |
| InChIK | YOHVXYMHZLBTPX-UHFFFAOYSA-N |
| TotalMolweight | 451.568 |
| Molweight | 451.568 |
| MonoisotopicMass | 451.225977 |
| CLogP | 5.8817 |
| CLogS | -6.103 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 363.37 |
| Relative PSA | 0.14553 |
| PolarSurfaceArea | 55.62 |
| Druglikeness | 1.0842 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61765 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide | 2 - N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
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