3-{[3'-(2-methylpropanoyl)-2-oxospiro[indole-3,2'-[1,3]thiazolidin]-1(2H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[3'-(2-methylpropanoyl)-2-oxospiro[indole-3,2'-[1,3]thiazolidin]-1(2H)-yl]methyl}benzonitrile
3-{[3'-(2-methylpropanoyl)-2-oxospiro[indole-3,2'-[1,3]thiazolidin]-1(2H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | V021-9375 |
| Compound Name: | 3-{[3'-(2-methylpropanoyl)-2-oxospiro[indole-3,2'-[1,3]thiazolidin]-1(2H)-yl]methyl}benzonitrile |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C22 H21 N3 O2 S |
| Smiles: | CC(C)C(N1CCSC12C(N(Cc1cccc(C#N)c1)c1ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4768 |
| logD: | 3.4768 |
| logSw: | -3.8496 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.907 |
| InChI Key: | QCWULUBHHOVOOW-QFIPXVFZSA-N |