4-[7-(3-methylbenzene-1-sulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-sulfonyl]benzonitrile
Chemical Structure Depiction of
4-[7-(3-methylbenzene-1-sulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-sulfonyl]benzonitrile
4-[7-(3-methylbenzene-1-sulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-sulfonyl]benzonitrile
Compound characteristics
| Compound ID: | P217-1658F |
| Compound Name: | 4-[7-(3-methylbenzene-1-sulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-sulfonyl]benzonitrile |
| Molecular Weight: | 447.53 |
| Molecular Formula: | C20 H21 N3 O5 S2 |
| Smiles: | Cc1cccc(c1)S(N1CC2CN(CC(C1)O2)S(c1ccc(C#N)cc1)(=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0814 |
| logD: | 2.0814 |
| logSw: | -2.436 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.727 |
| InChI Key: | OMKLNKZMBNARDF-HDICACEKSA-N |