N-[(4-butyl-5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide
Chemical Structure Depiction of
N-[(4-butyl-5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide
N-[(4-butyl-5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide
Compound characteristics
| Compound ID: | C592-2048 |
| Compound Name: | N-[(4-butyl-5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide |
| Molecular Weight: | 499.65 |
| Molecular Formula: | C26 H34 F N5 O2 S |
| Smiles: | CCCCn1c(CNC(C23CC4CC(CC(C4)C3)C2)=O)nnc1SCC(Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1999 |
| logD: | 5.1998 |
| logSw: | -4.9335 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.063 |
| InChI Key: | ZFUOYQDEGGSKQO-UHFFFAOYSA-N |