(5S,7R)-3-(4-chlorophenyl)-N,N-dipyridin-2-yladamantane-1-carboxamide
Formula:C27H26N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5S,7R)-3-(4-chlorophenyl)-N,N-dipyridin-2-yladamantane-1-carboxamide is a drug-like molecule.
| MolName | (5S,7R)-3-(4-chlorophenyl)-N,N-dipyridin-2-yladamantane-1-carboxamide |
| MolecularFormula | C27H26N3OCl |
| Smiles | O=C(C(C[C@@H](C1)C2)(C[C@H]1C1)CC12c(cc1)ccc1Cl)N(c1ncccc1)c1ncccc1 |
| InChI | InChI=1S/C27H26ClN3O/c28-22-9-7-21(8-10-22)26-14-19-13-20(15-26)17-27(16-19,18-26)25(32)31(23-5-1-3-11-29-23)24-6-2-4-12-30-24/h1-12,19-20H,13-18H2/t19-,20-,26?,27?/m0/s1 |
| InChIK | APSVMSHNBSRVJX-LNXYEHLSSA-N |
| TotalMolweight | 443.976 |
| Molweight | 443.976 |
| MonoisotopicMass | 443.176439 |
| CLogP | 4.7229 |
| CLogS | -7.667 |
| H Acceptors | 4 |
| TotalSurfaceArea | 321.65 |
| Relative PSA | 0.11979 |
| PolarSurfaceArea | 46.09 |
| Druglikeness | 2.6359 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.4375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 7 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 10 |
| Symmetricatoms | 8 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | unknown chirality |
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