ethyl 5,5,11-trioxo-10-[(2,4,6-trimethylphenyl)methyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
ethyl 5,5,11-trioxo-10-[(2,4,6-trimethylphenyl)methyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
ethyl 5,5,11-trioxo-10-[(2,4,6-trimethylphenyl)methyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | F037-0068 |
| Compound Name: | ethyl 5,5,11-trioxo-10-[(2,4,6-trimethylphenyl)methyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 463.55 |
| Molecular Formula: | C26 H25 N O5 S |
| Smiles: | CCOC(c1ccc2c(c1)N(Cc1c(C)cc(C)cc1C)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6364 |
| logD: | 5.6364 |
| logSw: | -5.3653 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.134 |
| InChI Key: | DKBCWMMEGWUJHW-UHFFFAOYSA-N |