N-({5-[(2-anilino-2-oxoethyl)sulfanyl]-4-butyl-4H-1,2,4-triazol-3-yl}methyl)adamantane-1-carboxamide
Chemical Structure Depiction of
N-({5-[(2-anilino-2-oxoethyl)sulfanyl]-4-butyl-4H-1,2,4-triazol-3-yl}methyl)adamantane-1-carboxamide
N-({5-[(2-anilino-2-oxoethyl)sulfanyl]-4-butyl-4H-1,2,4-triazol-3-yl}methyl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | C592-2046 |
| Compound Name: | N-({5-[(2-anilino-2-oxoethyl)sulfanyl]-4-butyl-4H-1,2,4-triazol-3-yl}methyl)adamantane-1-carboxamide |
| Molecular Weight: | 481.66 |
| Molecular Formula: | C26 H35 N5 O2 S |
| Smiles: | CCCCn1c(CNC(C23CC4CC(CC(C4)C3)C2)=O)nnc1SCC(Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9791 |
| logD: | 4.9791 |
| logSw: | -4.4552 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.063 |
| InChI Key: | JWIKGFLABQWEOW-UHFFFAOYSA-N |