N-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]adamantane-1-carboxamide
Formula:C24H27N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]adamantane-1-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]adamantane-1-carboxamide |
| MolecularFormula | C24H27N5O |
| Smiles | N#CCCn(cc1/C=N\NC(C2(CC(C3)C4)CC4CC3C2)=O)nc1-c1ccccc1 |
| InChI | InChI=1S/C24H27N5O/c25-7-4-8-29-16-21(22(28-29)20-5-2-1-3-6-20)15-26-27-23(30)24-12-17-9-18(13-24)11-19(10-17)14-24/h1-3,5-6,15-19H,4,8-14H2,(H,27,30) |
| InChIK | WVGRTUOKIDGHFH-UHFFFAOYSA-N |
| TotalMolweight | 401.512 |
| Molweight | 401.512 |
| MonoisotopicMass | 401.22156 |
| CLogP | 3.4234 |
| CLogS | -5.674 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 314.15 |
| Relative PSA | 0.21458 |
| PolarSurfaceArea | 83.07 |
| Druglikeness | -0.0050141 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 12 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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