6-(2,5-dimethylbenzene-1-sulfonyl)-8-(4-propyl-4H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octane
Chemical Structure Depiction of
6-(2,5-dimethylbenzene-1-sulfonyl)-8-(4-propyl-4H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octane
6-(2,5-dimethylbenzene-1-sulfonyl)-8-(4-propyl-4H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octane
Compound characteristics
| Compound ID: | SD74-1030 |
| Compound Name: | 6-(2,5-dimethylbenzene-1-sulfonyl)-8-(4-propyl-4H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octane |
| Molecular Weight: | 388.53 |
| Molecular Formula: | C20 H28 N4 O2 S |
| Smiles: | CCCn1cnnc1C1CN(CC12CCC2)S(c1cc(C)ccc1C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8911 |
| logD: | 2.8911 |
| logSw: | -3.0844 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.769 |
| InChI Key: | MMZXNWDHBNYRIG-KRWDZBQOSA-N |