4-[7-(4-methoxybenzene-1-sulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carbonyl]benzonitrile
Chemical Structure Depiction of
4-[7-(4-methoxybenzene-1-sulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carbonyl]benzonitrile
4-[7-(4-methoxybenzene-1-sulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | P217-0533 |
| Compound Name: | 4-[7-(4-methoxybenzene-1-sulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carbonyl]benzonitrile |
| Molecular Weight: | 427.48 |
| Molecular Formula: | C21 H21 N3 O5 S |
| Smiles: | COc1ccc(cc1)S(N1CC2CN(CC(C1)O2)C(c1ccc(C#N)cc1)=O)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.3755 |
| logD: | 1.3755 |
| logSw: | -2.3148 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.208 |
| InChI Key: | CDAQBIPWNPQJDR-KDURUIRLSA-N |