methyl 10-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
methyl 10-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
methyl 10-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | G599-0252 |
| Compound Name: | methyl 10-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 478.52 |
| Molecular Formula: | C25 H22 N2 O6 S |
| Smiles: | COC(c1ccc2c(c1)N(CC(Nc1ccc(c(c1)OC)OC)=O)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2586 |
| logD: | 4.2586 |
| logSw: | -4.3621 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.985 |
| InChI Key: | RAHFQYZTRQEBTO-UHFFFAOYSA-N |