N-[(5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide
Chemical Structure Depiction of
N-[(5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide
N-[(5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide
Compound characteristics
| Compound ID: | C592-2035 |
| Compound Name: | N-[(5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide |
| Molecular Weight: | 493.67 |
| Molecular Formula: | C27 H35 N5 O2 S |
| Smiles: | CCn1c(CNC(C23CC4CC(CC(C4)C3)C2)=O)nnc1SCC(N1CCCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7293 |
| logD: | 4.7293 |
| logSw: | -4.3337 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.717 |
| InChI Key: | IJNBOXLGEAKCNW-UHFFFAOYSA-N |