2-ethoxyethyl 10-[(4-ethenylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
2-ethoxyethyl 10-[(4-ethenylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
2-ethoxyethyl 10-[(4-ethenylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | F089-0021 |
| Compound Name: | 2-ethoxyethyl 10-[(4-ethenylphenyl)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: | CCOCCOC(c1ccc2c(c1)N(Cc1ccc(C=C)cc1)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5482 |
| logD: | 4.5482 |
| logSw: | -4.381 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.406 |
| InChI Key: | MOLVGMGNKWYWKL-UHFFFAOYSA-N |