N-[1-(adamantan-1-yl)ethyl]-2-{[1-(2H-1,3-benzodioxol-5-yl)-1H-tetrazol-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-2-{[1-(2H-1,3-benzodioxol-5-yl)-1H-tetrazol-5-yl]sulfanyl}acetamide
N-[1-(adamantan-1-yl)ethyl]-2-{[1-(2H-1,3-benzodioxol-5-yl)-1H-tetrazol-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8017-4446 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-2-{[1-(2H-1,3-benzodioxol-5-yl)-1H-tetrazol-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C22 H27 N5 O3 S |
| Smiles: | [H][C@]12CC3(C[C@]([H])(C1)C[C@@]([H])(C3)C2)C(C)NC(CSc1nnnn1c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.041 |
| logD: | 4.041 |
| logSw: | -4.1254 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.672 |
| InChI Key: | HZWKJPYUMUFAJJ-QRYOHXEKSA-N |