N-[(5-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide
Chemical Structure Depiction of
N-[(5-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide
N-[(5-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide
Compound characteristics
| Compound ID: | C592-2040 |
| Compound Name: | N-[(5-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide |
| Molecular Weight: | 497.66 |
| Molecular Formula: | C26 H35 N5 O3 S |
| Smiles: | CCn1c(CNC(C23CC4CC(CC(C4)C3)C2)=O)nnc1SCC(Nc1ccc(cc1)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6643 |
| logD: | 4.6643 |
| logSw: | -4.2123 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.933 |
| InChI Key: | KKNKXEBTAUHTMT-UHFFFAOYSA-N |