N-[(4-butyl-5-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide
Chemical Structure Depiction of
N-[(4-butyl-5-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide
N-[(4-butyl-5-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide
Compound characteristics
| Compound ID: | C592-2047 |
| Compound Name: | N-[(4-butyl-5-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide |
| Molecular Weight: | 495.69 |
| Molecular Formula: | C27 H37 N5 O2 S |
| Smiles: | CCCCn1c(CNC(C23CC4CC(CC(C4)C3)C2)=O)nnc1SCC(Nc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5943 |
| logD: | 5.5943 |
| logSw: | -5.1874 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.063 |
| InChI Key: | YPIAKRTZWKXCLS-UHFFFAOYSA-N |