1-cyclohexyl-3,3-dimethyl-1-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea
Formula:C20H26N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-cyclohexyl-3,3-dimethyl-1-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea is a drug-like molecule.
| MolName | 1-cyclohexyl-3,3-dimethyl-1-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea |
| MolecularFormula | C20H26N6O |
| Smiles | Cc1cccc2c1n1nnnc1c(CN(C1CCCCC1)C(N(C)C)=O)c2 |
| InChI | InChI=1S/C20H26N6O/c1-14-8-7-9-15-12-16(19-21-22-23-26(19)18(14)15)13-25(20(27)24(2)3)17-10-5-4-6-11-17/h7-9,12,17H,4-6,10-11,13H2,1-3H3 |
| InChIK | FGPXPYRMOWBETK-UHFFFAOYSA-N |
| TotalMolweight | 366.467 |
| Molweight | 366.467 |
| MonoisotopicMass | 366.216809 |
| CLogP | 2.746 |
| CLogS | -5.243 |
| H Acceptors | 7 |
| TotalSurfaceArea | 286.08 |
| Relative PSA | 0.21323 |
| PolarSurfaceArea | 66.63 |
| Druglikeness | -2.9484 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 13 |
| Sp3Atoms | 10 |
| Symmetricatoms | 3 |
| Amides | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 1-cyclohexyl-3,3-dimethyl-1-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea | 2 - 1-cyclohexyl-3,3-dimethyl-1-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea
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