N-[5-(adamantan-1-yl)-2-bromophenyl]-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-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-(thiophen-2-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-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8013-5850 |
| Compound Name: | N-[5-(adamantan-1-yl)-2-bromophenyl]-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 569.59 |
| Molecular Formula: | C27 H29 Br N4 O S2 |
| Smiles: | [H][C@]12CC3(C[C@]([H])(C1)C[C@@]([H])(C3)C2)c1ccc(c(c1)NC(CSc1nnc(c2cccs2)n1CC=C)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 7.57 |
| logD: | 7.57 |
| logSw: | -6.1615 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.451 |
| InChI Key: | WDCVBEQCICROSF-UHFFFAOYSA-N |