methyl 4-{2-[(4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | IB08-2549 |
| Compound Name: | methyl 4-{2-[(4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 389.47 |
| Molecular Formula: | C18 H23 N5 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nnc(C2CCCCC2)n1N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.86 |
| logD: | 2.86 |
| logSw: | -3.61 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 191.02 |
| InChI Key: | MSNLQYYTEUIKND-UHFFFAOYSA-N |