(7R)-7-(3-methoxyphenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Formula:C18H17N5O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(7R)-7-(3-methoxyphenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is a drug-like molecule.
| MolName | (7R)-7-(3-methoxyphenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| MolecularFormula | C18H17N5O2S |
| Smiles | CC(Nc1nc(-c2cccs2)nn1[C@@H]1c2cc(OC)ccc2)=C1C(N)=O |
| InChI | InChI=1S/C18H17N5O2S/c1-10-14(16(19)24)15(11-5-3-6-12(9-11)25-2)23-18(20-10)21-17(22-23)13-7-4-8-26-13/h3-9,15H,1-2H3,(H2,19,24)(H,20,21,22)/t15-/m1/s1 |
| InChIK | QJCMSJHIMBBVCB-OAHLLOKOSA-N |
| TotalMolweight | 367.432 |
| Molweight | 367.432 |
| MonoisotopicMass | 367.110295 |
| CLogP | 2.3364 |
| CLogS | -6.115 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 269.61 |
| Relative PSA | 0.36697 |
| PolarSurfaceArea | 123.3 |
| Druglikeness | 6.8696 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (7R)-7-(3-methoxyphenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide | 2 - (7R)-7-(3-methoxyphenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
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