(oxolan-2-yl)methyl 10-[(2-methylphenyl)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-[(2-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
(oxolan-2-yl)methyl 10-[(2-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | F037-0431 |
| Compound Name: | (oxolan-2-yl)methyl 10-[(2-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 491.56 |
| Molecular Formula: | C27 H25 N O6 S |
| Smiles: | Cc1ccccc1CN1C(c2ccccc2S(c2ccc(cc12)C(=O)OCC1CCCO1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4141 |
| logD: | 4.4141 |
| logSw: | -4.311 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.893 |
| InChI Key: | KAUUPCFXSVUITB-OAQYLSRUSA-N |