2-{[5-(adamantan-1-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chlorophenyl)acetamide
Chemical Structure Depiction of
2-{[5-(adamantan-1-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chlorophenyl)acetamide
2-{[5-(adamantan-1-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chlorophenyl)acetamide
Compound characteristics
| Compound ID: | 8014-7028 |
| Compound Name: | 2-{[5-(adamantan-1-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chlorophenyl)acetamide |
| Molecular Weight: | 443.01 |
| Molecular Formula: | C23 H27 Cl N4 O S |
| Smiles: | C=CCn1c(C23CC4CC(CC(C4)C3)C2)nnc1SCC(Nc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.2242 |
| logD: | 6.2241 |
| logSw: | -6.4137 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.402 |
| InChI Key: | MLTONZZBNYIBJT-UHFFFAOYSA-N |