ethyl {[4-(4-bromophenyl)-5-{[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[4-(4-bromophenyl)-5-{[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
ethyl {[4-(4-bromophenyl)-5-{[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | C244-0041 |
| Compound Name: | ethyl {[4-(4-bromophenyl)-5-{[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 533.49 |
| Molecular Formula: | C24 H29 Br N4 O3 S |
| Smiles: | CCOC(CSc1nnc(CNC(C23CC4CC(CC(C4)C3)C2)=O)n1c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2985 |
| logD: | 5.2984 |
| logSw: | -5.223 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.837 |
| InChI Key: | IFCBRWYHVJINHR-UHFFFAOYSA-N |