ethyl 10-[2-(3,4-dimethylanilino)-2-oxoethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
ethyl 10-[2-(3,4-dimethylanilino)-2-oxoethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
ethyl 10-[2-(3,4-dimethylanilino)-2-oxoethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | F037-0042 |
| Compound Name: | ethyl 10-[2-(3,4-dimethylanilino)-2-oxoethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 492.55 |
| Molecular Formula: | C26 H24 N2 O6 S |
| Smiles: | CCOC(c1ccc2c(c1)N(CC(Nc1ccc(C)c(C)c1)=O)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6122 |
| logD: | 4.6122 |
| logSw: | -4.2921 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.284 |
| InChI Key: | LWRMWGUDYZBCDG-UHFFFAOYSA-N |