ethyl 10-[(4-cyanophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
ethyl 10-[(4-cyanophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
ethyl 10-[(4-cyanophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | G599-0315 |
| Compound Name: | ethyl 10-[(4-cyanophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C24 H18 N2 O3 S |
| Smiles: | CCOC(c1ccc2c(c1)N(Cc1ccc(C#N)cc1)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4829 |
| logD: | 5.4829 |
| logSw: | -5.3621 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.21 |
| InChI Key: | BNXUERZBWXDATM-UHFFFAOYSA-N |