3-{[5-methoxy-3'-(2-methylbenzoyl)-2-oxospiro[indole-3,2'-[1,3]thiazolidin]-1(2H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[5-methoxy-3'-(2-methylbenzoyl)-2-oxospiro[indole-3,2'-[1,3]thiazolidin]-1(2H)-yl]methyl}benzonitrile
3-{[5-methoxy-3'-(2-methylbenzoyl)-2-oxospiro[indole-3,2'-[1,3]thiazolidin]-1(2H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | V024-0740 |
| Compound Name: | 3-{[5-methoxy-3'-(2-methylbenzoyl)-2-oxospiro[indole-3,2'-[1,3]thiazolidin]-1(2H)-yl]methyl}benzonitrile |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C27 H23 N3 O3 S |
| Smiles: | Cc1ccccc1C(N1CCSC12C(N(Cc1cccc(C#N)c1)c1ccc(cc12)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6069 |
| logD: | 4.6069 |
| logSw: | -4.443 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.179 |
| InChI Key: | HLHFIKKOTGXUCF-MHZLTWQESA-N |