(furan-2-yl)methyl 10-[(4-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
(furan-2-yl)methyl 10-[(4-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
(furan-2-yl)methyl 10-[(4-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | F037-0318 |
| Compound Name: | (furan-2-yl)methyl 10-[(4-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 487.53 |
| Molecular Formula: | C27 H21 N O6 S |
| Smiles: | Cc1ccc(CN2C(c3ccccc3S(c3ccc(cc23)C(=O)OCc2ccco2)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0398 |
| logD: | 5.0398 |
| logSw: | -4.6819 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.987 |
| InChI Key: | YROYGLQVWRDRPP-UHFFFAOYSA-N |