(oxolan-2-yl)methyl 10-[(3-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-[(3-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-[(3-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | F037-0439 |
| Compound Name: | (oxolan-2-yl)methyl 10-[(3-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: | Cc1cccc(CN2C(c3ccccc3S(c3ccc(cc23)C(=O)OCC2CCCO2)(=O)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4421 |
| logD: | 4.4421 |
| logSw: | -4.4114 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.893 |
| InChI Key: | GTFIWYNXFAOYOV-OAQYLSRUSA-N |