4-benzyl-9-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)-1-oxa-9-azaspiro[5.5]undecane
Chemical Structure Depiction of
4-benzyl-9-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)-1-oxa-9-azaspiro[5.5]undecane
4-benzyl-9-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)-1-oxa-9-azaspiro[5.5]undecane
Compound characteristics
| Compound ID: | T500-0432 |
| Compound Name: | 4-benzyl-9-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)-1-oxa-9-azaspiro[5.5]undecane |
| Molecular Weight: | 417.57 |
| Molecular Formula: | C22 H31 N3 O3 S |
| Smiles: | Cc1c(c(C)n(C)n1)S(N1CCC2(CC1)CC(CCO2)Cc1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8754 |
| logD: | 2.8754 |
| logSw: | -3.3415 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.119 |
| InChI Key: | ORTFEXDEOZBUBA-FQEVSTJZSA-N |