3-({[2-(adamantan-1-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-4-amine
Chemical Structure Depiction of
3-({[2-(adamantan-1-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-4-amine
3-({[2-(adamantan-1-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-4-amine
Compound characteristics
| Compound ID: | 8019-5426 |
| Compound Name: | 3-({[2-(adamantan-1-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-4-amine |
| Molecular Weight: | 483.65 |
| Molecular Formula: | C24 H29 N5 O2 S2 |
| Smiles: | COc1ccc(cc1OC)c1nnc(n1N)SCc1csc(C23CC4CC(CC(C4)C3)C2)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.6468 |
| logD: | 5.6448 |
| logSw: | -5.6297 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.663 |
| InChI Key: | MIMHCUCGPSGDQZ-UHFFFAOYSA-N |