N-({4-ethyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)adamantane-1-carboxamide
Chemical Structure Depiction of
N-({4-ethyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)adamantane-1-carboxamide
N-({4-ethyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | G856-2579 |
| Compound Name: | N-({4-ethyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)adamantane-1-carboxamide |
| Molecular Weight: | 438.59 |
| Molecular Formula: | C24 H30 N4 O2 S |
| Smiles: | CCn1c(CNC(C23CC4CC(CC(C4)C3)C2)=O)nnc1SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3174 |
| logD: | 4.3174 |
| logSw: | -4.2323 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.907 |
| InChI Key: | LMFSXHWIBCTEAH-UHFFFAOYSA-N |