9-(1-ethyl-1H-pyrazole-4-sulfonyl)-4-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane
Chemical Structure Depiction of
9-(1-ethyl-1H-pyrazole-4-sulfonyl)-4-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane
9-(1-ethyl-1H-pyrazole-4-sulfonyl)-4-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane
Compound characteristics
| Compound ID: | T500-1137 |
| Compound Name: | 9-(1-ethyl-1H-pyrazole-4-sulfonyl)-4-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane |
| Molecular Weight: | 417.57 |
| Molecular Formula: | C22 H31 N3 O3 S |
| Smiles: | CCn1cc(cn1)S(N1CCC2(CC1)CC(CCO2)Cc1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6448 |
| logD: | 3.6448 |
| logSw: | -3.5872 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.782 |
| InChI Key: | DVFFMRMICQHHRM-FQEVSTJZSA-N |