(oxolan-2-yl)methyl 10-[(4-cyanophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
(oxolan-2-yl)methyl 10-[(4-cyanophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
(oxolan-2-yl)methyl 10-[(4-cyanophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | F037-0463 |
| Compound Name: | (oxolan-2-yl)methyl 10-[(4-cyanophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 502.55 |
| Molecular Formula: | C27 H22 N2 O6 S |
| Smiles: | C1CC(COC(c2ccc3c(c2)N(Cc2ccc(C#N)cc2)C(c2ccccc2S3(=O)=O)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4499 |
| logD: | 3.4499 |
| logSw: | -3.9537 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 90.949 |
| InChI Key: | ZYLCBMYKYONZIS-OAQYLSRUSA-N |