ethyl [(4-benzyl-5-{[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(4-benzyl-5-{[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
ethyl [(4-benzyl-5-{[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | C244-0040 |
| Compound Name: | ethyl [(4-benzyl-5-{[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate |
| Molecular Weight: | 468.62 |
| Molecular Formula: | C25 H32 N4 O3 S |
| Smiles: | CCOC(CSc1nnc(CNC(C23CC4CC(CC(C4)C3)C2)=O)n1Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6705 |
| logD: | 4.6705 |
| logSw: | -4.3049 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.094 |
| InChI Key: | VDZKRZDBOPSMGC-UHFFFAOYSA-N |