N-[5-(adamantan-1-yl)-2-bromophenyl]-2-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[5-(adamantan-1-yl)-2-bromophenyl]-2-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamide
N-[5-(adamantan-1-yl)-2-bromophenyl]-2-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8014-8983 |
| Compound Name: | N-[5-(adamantan-1-yl)-2-bromophenyl]-2-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 554.51 |
| Molecular Formula: | C26 H28 Br N5 O2 S |
| Smiles: | [H][C@]12CC3(C[C@]([H])(C1)C[C@@]([H])(C3)C2)c1ccc(c(c1)NC(CSc1nnnn1c1ccc(cc1)OC)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.6861 |
| logD: | 6.6861 |
| logSw: | -5.6237 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.646 |
| InChI Key: | QSXTXRWJTGOCNU-UHFFFAOYSA-N |