N-[5-(adamantan-1-yl)-2-bromophenyl]-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[5-(adamantan-1-yl)-2-bromophenyl]-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-[5-(adamantan-1-yl)-2-bromophenyl]-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8014-2710 |
| Compound Name: | N-[5-(adamantan-1-yl)-2-bromophenyl]-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 564.55 |
| Molecular Formula: | C28 H30 Br N5 O S |
| Smiles: | [H][C@]12CC3(C[C@]([H])(C1)C[C@@]([H])(C3)C2)c1ccc(c(c1)NC(CSc1nnc(c2cccnc2)n1CC=C)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.3691 |
| logD: | 6.3566 |
| logSw: | -5.928 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.95 |
| InChI Key: | UHLBSNZBEKZAOM-UHFFFAOYSA-N |