2-ethoxyethyl 10-[(3-nitrophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
2-ethoxyethyl 10-[(3-nitrophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
2-ethoxyethyl 10-[(3-nitrophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | G599-0012 |
| Compound Name: | 2-ethoxyethyl 10-[(3-nitrophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 478.52 |
| Molecular Formula: | C25 H22 N2 O6 S |
| Smiles: | CCOCCOC(c1ccc2c(c1)N(Cc1cccc(c1)[N+]([O-])=O)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4255 |
| logD: | 5.4255 |
| logSw: | -5.3659 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.807 |
| InChI Key: | NZWFSAZWVRHEND-UHFFFAOYSA-N |