N-[(1R)-1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide
Formula:C25H31N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(1R)-1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide is a drug-like molecule.
| MolName | N-[(1R)-1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide |
| MolecularFormula | C25H31N3O3 |
| Smiles | CC[C@H](C(N1CC)=Nc(cccc2)c2C1=O)N(Cc1ccco1)C(C1CCCCC1)=O |
| InChI | InChI=1S/C25H31N3O3/c1-3-22(23-26-21-15-9-8-14-20(21)25(30)27(23)4-2)28(17-19-13-10-16-31-19)24(29)18-11-6-5-7-12-18/h8-10,13-16,18,22H,3-7,11-12,17H2,1-2H3/t22-/m1/s1 |
| InChIK | SILIWDZZJIXCQN-JOCHJYFZSA-N |
| TotalMolweight | 421.539 |
| Molweight | 421.539 |
| MonoisotopicMass | 421.236542 |
| CLogP | 3.563 |
| CLogS | -4.357 |
| H Acceptors | 6 |
| TotalSurfaceArea | 334.38 |
| Relative PSA | 0.17585 |
| PolarSurfaceArea | 66.12 |
| Druglikeness | 0.53292 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.41935 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon | this enantiomer |
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1 - N-[(1R)-1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide | 2 - N-[(1R)-1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide
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