1-{[(3-amino-1H-1,2,4-triazol-5-yl)acetyl][(furan-2-yl)methyl]amino}-N-(2-methylphenyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
1-{[(3-amino-1H-1,2,4-triazol-5-yl)acetyl][(furan-2-yl)methyl]amino}-N-(2-methylphenyl)cyclohexane-1-carboxamide
1-{[(3-amino-1H-1,2,4-triazol-5-yl)acetyl][(furan-2-yl)methyl]amino}-N-(2-methylphenyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | 8012-9515 |
| Compound Name: | 1-{[(3-amino-1H-1,2,4-triazol-5-yl)acetyl][(furan-2-yl)methyl]amino}-N-(2-methylphenyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 436.51 |
| Molecular Formula: | C23 H28 N6 O3 |
| Smiles: | Cc1ccccc1NC(C1(CCCCC1)N(Cc1ccco1)C(Cc1nc(N)n[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2961 |
| logD: | 3.2958 |
| logSw: | -3.4104 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 100.534 |
| InChI Key: | YMHIVBXODDXMRH-UHFFFAOYSA-N |