N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide
Chemical Structure Depiction of
N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide
N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide
Compound characteristics
| Compound ID: | C592-2034 |
| Compound Name: | N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide |
| Molecular Weight: | 479.64 |
| Molecular Formula: | C26 H33 N5 O2 S |
| Smiles: | CCn1c(CNC(C23CC4CC(CC(C4)C3)C2)=O)nnc1SCC(N1CCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3944 |
| logD: | 4.3944 |
| logSw: | -4.1211 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.083 |
| InChI Key: | UGWHFCZTCQERGL-UHFFFAOYSA-N |