N-(adamantan-2-yl)-2-{[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(adamantan-2-yl)-2-{[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(adamantan-2-yl)-2-{[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y502-6050 |
| Compound Name: | N-(adamantan-2-yl)-2-{[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 462.41 |
| Molecular Formula: | C20 H24 Br N5 O S |
| Smiles: | C1C2CC3CC1CC(C2)C3NC(CSc1nnc(c2ccc(cc2)[Br])n1N)=O |
| Stereo: | ACHIRAL |
| logP: | 4.33 |
| logD: | 4.33 |
| logSw: | -4.4863 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 66.957 |
| InChI Key: | YSHQZBNGWKNGHU-UHFFFAOYSA-N |